Subject index to volume 211–220

Chemical Physics ELSEVIER

Chemical Physics 211-220 (1997) 37-11 I

Subject index to volume 211-220

Methods

Theoretical

Group theory and algebras Dynamical symmetry in the vibrational overtone spectrum of monotluoroacetylene (HCCF), E.S. Bernardes, Y.M.M. Homos and lE.M. Homos The d-dimensional hydrogen atom: hyperspherical harmonics as momentum space orbitals and alternative Sturmian basis sets, V. Aquilanti, S. Cavalli and C. Coletti The anharmonic effect as originated from the asymmetry of a rotor. The case study of an asymmetric rotor coupled with a simple harmonic oscillator, G. Wu Lie algebraic method for vibrational and rotational transitions in inelastic collisions of a molecule with a solid surface, D. Guan, X. Yi, S. Ding and B. Yang Symmetry adapted basis defect patterns for analysis of the effects of energy disorder on cyclic arrays of coupled chromophores, H.-M. Wu and GJ. Small Double exchange in tetrameric tetrahedral clusters with two-electron transfer: magnetic properties, V.P. Coropceanu, F.G. Paladi, S.l. Boldyrev and V.J. Gamurar Classical mechanics Transport coefficients for NO+ ions in helium gas: a test of the NO+-He interaction potential, L.A. Viehland, A.S. Dickinson and R.G.A.R. Maclagan Selecti ve rovibrational energy transfer: A classical trajectory study of collisional energy redistribution in methyl radical, G.S. Peng and R.P. Parson Reaction path Hamiltonian analysis of the dynamics for CI- + CH)Br ~ CICH) + BrS N 2 nucleophilic substitution, H. Wang and W.L. Hase A theoretical test of the pairwise energy model for reactive cross sections, J.-B. Song and E.A. Gislason Application of the pairwise energy model to various isotopic variations of the H + H 2 reaction, J.-B. Song and E.A. Gislason On the 02(V') + 02(V") atmospheric reaction: a quasiclassical trajectory study, AJ.C. Varandas and W. Wang Isotope effects on the rate constants for the processes 02 + ~ 0 + 02 and 02 + + Ar ~ 0) + AT. On a modified ground-state potential energy surface for ozone, A. Gross and G.D. Billing

°

°

213 (l996) 17 214 (1997) 214 (1997) 15 218 (1997) 218 (1997) 225 219 (1997)

211 (1996) 211 (1996) 17 212 (l996) 247 212 (1996) 259 214 (1997) 23 215 (]997) 167

217 (]997)

38

Subject index to volume 211-220

Phase-space localization and level spacing distributions for a driven rotor with mixed regular/chaotic dynamics, T. Gorin, RJ. Korsch and B. Mirbach Ultracold atoms in modulated standing light waves, K. Drese and M. Holthaus

Many body and quasiparticle approaches Correlated electronic potential-energy surfaces for proton interactions with N 2 , F.A. Gianturco, S. Kumar and F Schneider Reactions controlled by enhanced diffusion: Deterministic and stochastic approaches, G. Zumofen, J. Klafter and M.F Shlesinger Recovering boundaries for partly diffusion-controlled reaction kinetics, NJ.B. Green, RD. Spencer-Smith and A.G. Rickerby Control of tunneling reactions with an external field in a four-level system: A general Redfield approach, M. Morillo, C. Denk and R.I. Cukier Orbital momentum profiles and binding energy spectra for the complete valence shell of molecular fluorine, Y. Zheng, C.E. Brion, MJ. Brunger, K. Zhao, A.M. Grisogono, S. Braidwood, E. Weigold, SJ. Chakravorty, E.R. Davidson, A. Sgamellotti and W. von Niessen The ArCIF Van der Waals complex as an example of how atoms inside a molecule interact with those outside, F.Y. Naumkin The formalism and matrix elements of a complete potential-harmonic scheme for directly solving the Schrodinger equation of the helium atom, Y.-X. Wang and C.-H. Deng Polarization propagator study of electronic excitation in key heterocyclic molecules!. Pyrrole, A.B. Trofimov and J. Schirmer Common features of various mechanisms of electron transfer across a 4,4'-bipyridine bridge: a theoretical evaluation of resonance structures of the transition state, P. Karafiloglou Hybridizations of fullerenes: their relations with properties and applications in computation, X.P. Yu, Z.L. Cao and R.S. Han Double exchange in distorted trimeric mixed-valence clusters, M.l. Belinsky Theoretical study of the low-lying excited states of ABCO, DABCO and homologous cage amines, V. Galasso Charge-transfer excitons in the dielectric theory of molecular crystals, R.W. Munn Thermodynamic shift from three- to two-dimensional systems, F. Cuadros, A. Mulero and W. Okrasinski Double exchange in tetrameric tetrahedral clusters with two-electron transfer: magnetic properties, V.P. Coropceanu, F.G. Paladi, S.l. Boldyrev and VJ. Gamurar Strong-field approach to ultrafast pump-probe spectra: dye molecules in solution, D.H. Schirrmeister and V. May Highly correlated QDPT-CI calculations of valence and core photoelectron spectra of Ne, G. Fronzoni and P. Decleva

Coupling schemes and perturbatiue treatments Solvent reorganization energy of electron transfer in weakly polar solvents, D.V. Matyushov Spin-orbit effects in fullerenes, Fl. Adrian Condition for fractional-power viscosity dependence of the average rate constant of solution reactions influenced by slow solvent fluctuations, H. Sumi

217 (1997) 145 217 (1997) 201

211 (1996) 33 212 (1996) 89 212 (1996) 99 212 (1996) 157

212 (1996) 269 213 (1996) 33 214(1997) 33 214 (1997) 153

214 (1997) 171 215 (1997) 215(1997)

1 7

215 (1997) 183 215 (1997) 301 218 (1997) 235 219 (1997) 220 (1997) 220 (1997) 15

211 (1996) 47 211 (1996) 73 212 (1996)

9

39

Subject index to volume 211-220

Irreversible random transition theory as applied to rate processes in condensed media: Transient effects of constrained configuration rearrangements in complex systems, Yu.A. Berlin Spin-spin interactions in the reduced [Fe 6S6P+ cluster, M. Czerwinski and 1. D~browski The d-dimensional hydrogen atom: hyperspherical harmonics as momentum space orbitals and alternative Sturmian basis sets, V. Aquilanti, S. Cavalli and e. Coletti Ab initio determination of quasi-diabatic states for multiple reaction pathways, P. Cattaneo and M. Persico Ultracold atoms in modulated standing light waves, K. Drese and M. Holthaus Dynamical resonance and tunneling in a driven system with periodic potential, E.M. Zanardi and J.M. Gomez Llorente Photodissociation of Art in strong laser fields, P. Schwendner, F. Seyl and R. Schinke Vibronic and vibrational coherence and relaxation dynamics of molecules in condensed phases, M. Hayashi, T-S. Yang, A. Mebel, e.H. Chang, S.H. Lin and N.F. Scherer Optimal pump-dump control, Y.J. Yan, J. Che and J.L. Krause Double exchange in tetrameric tetrahedral clusters with two-electron transfer: magnetic properties, V.P. Coropceanu, F.G. Paladi, S.l. Boldyrev and V.J. Gamurar Nonadiabatic transitions and interference in photodissociation dynamics, D. Romstad, G. Granucci and M. Persico Uncoupled effective Hamiltonians for molecules with several vibrational modes coupled by Coriolis and centrifugal terms, M.S. Krishnan and T Carrington Jr. "Free" nuclear density propagation in two dimensions. The coupled-channel density matrix method and its application to inelastic molecule-surface scattering, L. Pesce and P, Saalfrank Tunneling splitting in vibrational spectra of non-rigid molecules. I. Perturbative instanton approach, V.A. Benderskii, E.V. Vetoshkin, S.Yu. Grebenshchikov, L. von Laue and H.P. Trommsdorff Tunneling splitting in vibrational spectra of non-rigid molecules. II. Excited states, V.A. Benderskii, E.V. Vetoshkin, L. von Laue and H.P. Trommsdorff Inclusion of ion-pair states in the diatomics-in-molecules description of potential energy surfaces: van der Waals complexes of He-CI 2 and Ar-Cl l , B.L. Grigorenko, A.V. Nemukhin and V.A. Apkarian Phenomenological model for reaction kinetics coupled to a relaxing environment, Y.A. Berlin, A.L. Burin and S.F. Fischer

Relativistic quantum mechanics Imaging of the HOMO electron density in Cr(CO)6' Mo(CO)6 and W(CO)6 by electron momentum spectroscopy: a comparison with Hartree-Fock and DFT calculations, 1. Rolke, Y. Zheng, e.E. Brion, S.J. Chakravorty, E.R. Davidson and I.E. McCarthy Spin-orbit interaction in heavy group 13 atoms and TIAr, T Leininger, A. Berning, A. Nicklass, H. Stoll, H.-J. Werner and H.-J. Had Transport quantum mechanics Universality of anomalous diffusion in extremely disordered systems, J.e. Dyre and J.M. Jacobsen Remote ionization and recombination through the multichannel electron transfer, A.I. Burshtein and P.A. Frantsuzov

212 (1996) 29 213 (1996) 45 214 (1997) 214(1997) 49 217 (1997) 201 217 (1997) 221 217 (1997) 233 217 (1997) 259 217 (1997) 297 219 (1997) 219 (1997) 21 219 (1997) 31

219 (1997) 43

219 (1997) 119 219 (1997) 143

219 (1997) 161 220 (1997) 25

215 (1997) 191 217 (1997) 19

212 (1996) 61 212 (1996) 137

40

Subject index to volume 211-220

Conformational flexibility of arginine-82 as source for the heterogeneous and pH-dependent kinetics of the primary proton transfer step in the bacteriorhodopsin photocycle: An electrostatic model, e. Scharnagl and S.F. Fischer A study of solvent dynamical effects on nonadiabatic electron transfer reaction rates, A Samanta and S.K. Ghosh Phonon termoactivated exciton tunneling in crystals of weak charge transfer complexes N-TCPA doped with NdS-TCPA, V.V. Eremenko, V.A. Karachevtsev and V.V. Slavin Dynamical simulation of the driven spin-boson system: The influence of interblip correlations, M. Winterstetter and U. Weiss Dissipative tunneling with periodic polychromatic driving: Exact results and tractable approximations, M. Grifoni, L. Hartmann and P. Hanggi Control of tunneling processes with an external field in a four-level system: an analytic approach, R.1. Cukier, e. Denk and M. Morillo Vibronic and vibrational coherence and relaxation dynamics of molecules in condensed phases, M. Hayashi, T.-S. Yang, A. Mebel, e.H. Chang, S.H. Lin and N.F. Scherer Diatomics-in-molecules study of the ground and excited states of H 3, AK. Belyaev and A.S. Tiukanov The magnetic field influence on bridge-assisted electron transfer, E.G. Petrov, 1.S. Tolokh, V.V. Gorbach and V. May

Equilibrium statistical mechanics Solvent reorganization energy of electron transfer in weakly polar solvents, D.V. Matyushov AI,Si ordering in chabazites: A Monte Carlo study, M.e. Gordillo and e.P. Herrero Maximum entropy imaging and quantum molecular timescale generalized Langevin equation theory, H.K. McDowell and A.M. Clogston Temperature dependence of the density of an ionic micellar system near the critical point, A. Compostizo, e. Martin, R.G. Rubio and A. Crespo Colin A method to calculate the probability distribution for systems with large energy barriers, O. Engkvist and G. Karlstrom Preferential solvation study: Solvation of sodium chloride in water-hydroxylamine mixtures, S. Vizoso and B.M. Rode Effect of ethanol addition upon the structure and the cooperativity of the water H bond network, R. Lamanna and S. Cannistraro A study of solvent dynamical effects on nonadiabatic electron transfer reaction rates, A. Samanta and S.K. Ghosh Comparison of the numerical matrix multiplication and quantum Monte Carlo simulations: calculation of spatial delocalization parameters, R.G. Schmidt, M.e. Bohm and J. Brickmann Intermolecular potential for phenol based on the test particle model, K. Sagarik and P. Asawakun C 90 temperatur~effects on relative stabilities of the IPR isomers, Z. Slanina, X. Zhao, S.-L. Lee and E. Osawa Structure and dynamics at the surface of a concentrated aqueous solution of CsF. J. Dietter and H. Morgner Statistical mechanics of stationary states The Neel point for spin-transition systems: toward a two-step transition, H. Boivin An analytical study of the Berezhkovskii-Pollak-Zitserman theory of rate processes in the critical region. II. The critical coupling plane, S. Singh and G.W. Robinson

212 (1996) 231 214 (1997) 61 216 (1997) 217 (1997) 155 217 (1997) 167 217 (1997) 179 217 (1997) 259 220 (1997) 43 220 (1997) 249 211 (1996) 47 211 (1996) 81 211 (1996) 91 212 (1996) 301 213 (1996) 63 213 (1996) 77 213 (1996) 95 214 (1997) 61

215 (1997) 207 219 (1997) 173 219 (1997) 193 220 (1997) 261 211 (1996) 10/ 212 (1996) 125

Subject index to volume 21 J-220

On the degrees of circularity for various kinds of polarized light in a nonpolar liquid mixture, DJ. Lee and K.-R. Kim Calculation of triplet-singlet transition efficiencies controlled by relative rotational diffusion of the two constituents of covalently linked radical pairs, K.M. Salikhov, J. Schliipmann, M. Plato and K. Mobius Drift velocity of ions in lighter gases in electric and magnetic fields, L. Ferrari and A. Carbognani A quantal entropy signature for the dynamics of pure states: Studies on some model problems, P. Sarkar, S. Adhikari and S.P. Bhattacharyya Statistical mechanical treatment of reactive solvent extraction, M. Lukhezo, LJ. Dunne. B.G. Reuben and M.S. Verrall

Non-equilibrium thermodynamic and hydrodynamic theories Monte Carlo simulation studies on the validity of the Gram-Charlier calculations of velocity distributions of Na + swarm in neon gas, P.P. Gng and M.-M. Li A Kramers reaction rate theory for electrochemical ion transfer reactions, M.T.M. Koper and W. Schmickler Kohlrausch relaxation in electronic and molecular glasses, le. Phillips Dissipation and fluctuation for a randomly kicked particle: Normal and anomalous diffusion, E. Barkai and V. F1eurov Competitive electron transfers in model triad systems: continuum model approach, T. Motylewski, 1. Najbar and M. Tachiya Development and interconnections of the temperatures in the translational, rotational and vibrational degrees of freedom in a potassium monomer/dimer beam, A. Obrebski, T. Kaps and U. Cerny Modeling of optical pumping experiments in CO. 1. Time-resolved experiments, P.I. Porshnev, H.L. Wallaart, M.-Y. Perrin and J.-P. Martin A study of solvent dynamical effects on nonadiabatic electron transfer reaction rates, A. Samanta and S.K. Ghosh Peculiarities of the enthalpy relaxation of a glassy crystal, O. Delcourt, M. Descamps, J. Even, M. Bertault and J.F. Willart Time resolved spectroscopy of nonlinear solvation with pulses longer than electronic dephasing, B.D. Fainberg and B. Zolotov Effect of strong excitation of the CO 2 asymmetric mode on transport properties. A. Chikhaoui and E.V. Kustova Dissipative tunneling with periodic polychromatic driving: Exact results and tractable approximations, M. Grifoni, L. Hartmann and P. Hanggi Ab initio schemes jor stationary properties Correlated electronic potential-energy surfaces for proton interactions with N z ' F.A. Gianturco, S. Kumar and F. Schneider Ab initio calculations of the rovibrational states of He 2 N 2+, J.M. Hughes and E.L von Nagy-Felsobuki Ab initio MP2 and OFT calculations of geometry and solution tautomerism of purine and some purine derivatives, A. Broo and A. Holmen The dissociation energies of FeF, FeCI, and FeBr and their positive ions, e.W. Bauschlicher Jr.

41

214 (1997) 183

215 (1997) 23 215 (1997) 37 215 (1997) 309 220 (1997) 53

211 (1996) 115 21 I (1996) 123 212 (1996) 41 212 (1996) 69 212 (1996) 193

212(1996)311 213 (1996) 111 214 (1997) 61 21 5 (I 997) 51 216 (1997)

7

216 (1997) 297 217 (1997) 167

211 (1996) 33 211 (1996) 135 211 (1996) 147 211 (1996) 163

42

Subject index to volume 211-220

Rydberg basis set effects on ab initio second hyperpolarizabilities of H 2, C 6 H 6 and CS 2 molecules, T. Hamada Ab initio calculation of three-body interaction in the (H 2)3 trimer, P. Wind and I. R¢eggen Comments on the mode coupling theory for structural relaxation, W. Gotze and L. Sjogren Interstellar silicon-nitrogen chemistry. I. The microwave and the infrared signatures of the HSiN, HNSi, HSiNH 2, HNSiH 2 and HSiNH+ species, 0. Parisel, M. Hanus and Y. Ellinger Ab initio study on the electronic structure of the 4 2~ + and 5 2~ + excited states of CO +, N. Honjou and E. Miyoshi Intracluster ion-molecule reactions induced by the synchrotron radiation in allyl bromideammonia clusters, e. Dedonder-Lardeux, e. 10uvet, S. Martrenchard-Barra, D. Solgadi, F Talbot, M. Vervloet, I. Dimicoli and M. Richard-Viard An ab initio perturbed ion study of structural properties of Ti0 2, Sn0 2 and Ge0 2 rutile lattices, A.e. Camargo, 1.A. Igualada, A. Beltran, R. L1usar, E. Longo and 1. Andres Calculation of magnetizabilities using GIAO current density distributions, T.A. Keith Ab initio study of unimolecular pyrolysis mechanisms of dithioformic acid, X. Xie, Y. Tao, H. Cao and W. Duang Calculations on ground and excited state potential energy surfaces of floppy free radicals: HC 4 H 2, HC 3 NH, and HC 3 0, H. Wang and A.L. Cooksy The use of locally dense basis sets in correlated NMR chemical shielding calculations, D.B. Chesnut and E.Fe. Byrd Correlation effects in the long-range coupling between acetylenic 'IT-electrons in a series of a,w-diethynyl[n]staffanes (n = 1-5), M. Braga Conformational studies of cyclopropylcarbonyl fluoride from temperature dependent Ff-IR spectra of xenon solutions, 1.R. Durig, S. Shen, W. Zhao and L. Zhou Conformational studies of propenoyl chloride in liquid xenon from temperature dependent Ff-IR spectra, J.R. Durig, Y. Li and Y. Jin An ab initio study of the potential energy surface in the S 1 state of 2-hydroxypyridine, A.L. Sobolewski and L. Adamowicz On the calculation of hydrogen NMR chemical shielding, D.E. Chesnut Ab initio calculations of electronic spectra of H 2Sand H 2S2' M. Pericou-Cayere, M. Gelize and A. Dargelos The vibrational dependence of the hydrogen and oxygen nuclear magnetic shielding constants in OH- and OH-· H 20, S.P.A. Sauer, V. Spirko, I. Paidarova and W.P. Kraemer An ab initio treatment of the Norrish type-II process in pentane-2-one and the role of tunneling of hydrogen, V. Sreedhara Rao and A.K. Chandra Specific and bulk solvent nonadditive contributions to the in-solution binding energy of ammonium-water clusters, J.e. Contador, M.A. Aguilar and FJ.O. del Valle The molecular and electronic states of 1,2,4,5-tetrazine studied by VUV absorption, near-threshold electron energy-loss spectroscopy and ab initio multi-reference configuration interaction studies, M.H. Palmer, H. McNab, D. Reed, A. Pollacchi, I.e. Walker, M.F Guest and M.R.F Siggel A M¢ller-Plesset perturbation theory and coupled-cluster study of the reaction enthalpies and barrier heights for the FCO + H 2 ~ HFCO + H abstraction reaction, J.S. Francisco Theoretical study of the reaction of hydrogen with nitric acid: ab initio MO and TST/RRKM calculations, J.W. Boughton, S. Kristyan and M.e. Lin

211 (1996) 171 211 (1996) 179 212 (1996) 47

212 (1996) 331 212 (1996) 363

212 (1996) 371 212 (1996) 381 213 (1996) 123 213 (1996) 133 213 (1996) 139 213 (1996) 153 213 (1996) 159 213 (1996) 165 213 (1996) 181 213 (1996) 193 214 (1997) 73 214 (1997) 81

214 (1997) 91 214 (1997) 103 214 (1997) 113

214 (1997) 191 214 (1997) 213 214 (1997) 219

Subject index to volume 2/ /-220

Ab initio calculations of S I excited state vibrational spectra of benzene, naphthalene and anthracene, G.S. Jas and K. Kuczera Electronic charge density transfer along a constrained reaction path from a hydronium ion configuration into a hydrogen chemisorption state on Cu(JOO), An.M. Kuznetsov and W. Lorenz Ultraviolet absorption and cross sections of propargyl (C,H 3 ) radicals in the 230-300 nm region, A. Fahr, P. Hassanzadeh, B. Laszlo and R.E. Huie Dipole polarizability and hyperpolarizability of FCN, CICN, BrCN and ICN, G. Maroulis and C. Pouchan Structures and potential energy surface of Faujasitic zeolite/water, J. Limtrakul, P. Treesukol, C. Ebner, R. Sansone and M. Probst Interaction forces and energy transfer dynamics of LiH C4 +) and helium atoms. 1. The ab initio evaluation of the lowest potential energy surface, FA. Gianturco, S. Kumar, S.K. Pathak, M. Raimondi, M. Sironi, J. Gerratt and D.L. Cooper Poly-amino-enolates: first examples of odd alternant conducting polymers, AJ.W. Tol Excited electronic states of the methyl radical. Ab initio molecular orbital study of geometries, excitation energies and vibronic spectra, A.M. Mebel and S.-H. Lin Structure, energetics and vibrational spectra of dimers, trimers, and tetramers of HX (X = CI, Br, 0, Z. Latajka and S. Scheiner Cotton-Mouton effect and shielding polarizabilities of ethylene: an MCSCF study, S. Coriani, A. Rizzo, K. Ruud and T Helgaker Vibrational analyses of the tetrathiosquarate ion based on ab initio molecular orbital and density functional calculations: Effect of the Jahn-Teller distortion in the excited electronic state on Raman intensities, H. Torii, M. Tasumi, I.M. Bell and RJ.H. Clark Matrix isolation and theoretical studies of ONNO: Assignment of a new combination band and density functional calculations, J.F. Canty, E.G. Stone, S.B.H. Bach and D.W. Ball Accurate universal Gaussian basis set for hydrogen through lanthanum generated with the generator coordinate Hartree-Fock method, FE. Jorge, E.V.R. de Castro and A.B.F da Silva Spin-orbit interaction in heavy group 13 atoms and TIAr, T Leininger, A. Berning, A. Nicklass, H. Stoll, H.-J. Werner and H.-J. Flad Nuclear relaxation and vibrational contributions to the static electrical properties of polyatomic molecules: beyond the Hartree-Fock approximation, J.M. Luis, J. MartI, M. Duran and J.L. Andres A simulation of ultrafast state-selective IR-Iaser-controlled isomerization of hydrogen cyanide based on global 3D ab initio potential and dipole surfaces, W. Jakubetz and B.L. Lan Rovibrational dependence of the nuclear quadrupole coupling constants of HF, OH- and NeH+, J. Vojtlk and J. Fiser Carbon-oxygen clusters as hypothetical high energy-density materials, S. Evangelisti Microsolvation of CJ anion by water clusters: Perturbative Monte Carlo simulations using a hybrid HF/MM potential, T.N. Truong and E.V. Stefanovich Vibrational spectrum and structure of LiOSi. An infrared matrix isolation and density functional theory study, B. Tremblay, M.E. Alikhani and L. Manceron Calculated thermodynamics of reactions involving NO+· X complexes (where X = H 2 0, N 2 and CO 2 ), P. Mack, J.M. Dyke and TG. Wright Hybrid density functional theory, Gaussian, and complete basis set ab initio studies of the stability of aluminum monocarbonyl and aluminum isocarbonyl, B.S. Jursic

43

214 (1997) 229

214 (1997) 243 215 (1997) 59 215 (1997) 67 215 (1997) 77

215 (1997) 227 215 (1997) 319 215 (1997) 329 216 (1997) 37 216 (1997) 53

216 (1997) 67 216 (1997) 81

216 (1997) 317 217 (1997) 19

217 (1997) 29

217 (I 997) 375 218(I997) 13 218 (1997) 21 218 (1997) 31 218 (1997) 37 218 (I 997) 243 219 (1997) 57

44

Subject index to volume 211-220

Ab initio calculation of the electronic spectrum and ionization potentials of hydrazine, M.-P. Habas, I. BaraiIIe, C. Larrieu and M. Chaillet Intermolecular potential for phenol based on the test particle model, K. Sagarik and P. Asawakun Cgo temperatur~ effects on relative stabilities of the IPR isomers, Z. Slanina, X. Zhao, S.-L. Lee and E. Osawa Ab initio study of the structure, vibrational spectra and binding energy of HCI-CIO and Clz-CIO complexes, S. Aloisio and J.S. Francisco Theoretical study of cyclic radicals NO x (x = 2-6), Y. Li and S. Iwata Infrared photoisomerization of the methanol dimer trapped in argon matrix: monochromatic irradiation experiments and Off calculations, S. Coussan, Y. Bouteiller, A. Lou tellier, J.P. Perchard, S. Racine, A. Peremans, W.Q. Zheng and A. Tadjeddine Quantum chemical exploration of the HCI dimer interaction, A.W. Meredith, L. Ming and S. Nordholm Collision-induced electronic transitions in complexes between benzene and molecular oxygen, B.F. Minaev, K.V. Mikkelsen and H. Agren

Computational and simulation methods Transport coefficients for NO+ ions in helium gas: a test of the NO+ -He interaction potential, L.A. Viehland, A.S. Dickinson and R.G.A.R. Maclagan Selective rovibrational energy transfer: A classical trajectory study of collisional energy redistribution in methyl radical, G.S. Peng and R.P. Parson AI,Si ordering in chabazites: A Monte Carlo study, M.C. Gordillo and c.P. Herrero Maximum entropy imaging and quantum molecular timescale generalized Langevin equation theory, H.K. McDowell and A.M. Clogston The Neel point for spin-transition systems: toward a two-step transition, H. Boivin Potential energy curve of the XO+(' 1 +) ground state of HgAr determined from AO+(3n) ~ XO~ and Bl(3l+) ~ XO+ fluorescence spectra, 1. Koperski The theory of Forster-type migration between clusters of strongly interacting molecules: application to light-harvesting complexes of purple bacteria, V.I. Novoderezhkin and A.P. Razjivin Experimental and theoretical study of the recombination reaction of FC(O)O radicals, A.E. Croce, C.J. Cobos and E. Castellano Molecular dynamics simulations of cis-trans isomerization for a proline-containing tripeptide in solution, S.Z. Wan, C.X. Wang, Y.W. Xu and Y.Y. Shi Magnetic field dependent yield of geminate radical pair recombination in micelles. Effect of intraradical spin lattice relaxation, 1.S. J~rgensen, J.B. Pedersen and A.l. Shushin Optical potential discrete variable representation method applied to the three-dimensional calculations of NelCI predissociation resonances, M. Monnerville and 1.-M. Robbe Stochastic wave packet vs. direct density matrix solution of Liouville-von Neumann equations for photodesorption problems, P. Saalfrank An improved classical approach quantum encounter treatment of collision-induced vibrational energy transfer. Application to He + CO (n i = I, 2), N. Markovic, T.D. Sewell, S. Nordholm and A. Miklavc Phenomenological interpretation of kinetics with time-dependent specific reaction rates, A. Plonka and A. Paszkiewicz Kohlrausch relaxation in electronic and molecular glasses, J.c. Phillips

219 (1997) 63 219 (1997) 173 219 (1997) 193 219 (J997) 201 219 (1997) 209

219 (1997) 221 220 (1997) 63 220 ( 1997) 79

211 (1996) 2]] (1996) 17 211 (1996) 81 211 (1996) 91 211 (1996) 101 211 (1996) 191

211 (1996) 203 211 (1996) 215 211 (1996) 227 211 (1996) 235 211 (1996) 249 211 (1996) 265

211 (1996) 277 212 (1996) 1 212(1996) 41

Subject index to volume 2 JJ- 220

Universality of anomalous diffusion in extremely disordered systems, J.e. Dyre and J.M. Jacobsen Reactions controlled by enhanced diffusion: Deterministic and stochastic approaches, G. Zumofen, J. Klafter and M.F. Shlesinger A temperature-dependent effective potential explains CO binding to myoglobin, N. Agmon and G.M. Sastry Dielectric relaxation models applied to the dynamics of myoglobin as determined by Mossbauer spectroscopy, 1. Chang, H. Hartmann, Yu. Krupyanskii, A. Zharikov and F. Parak Conformational flexibility of arginine-82 as source for the heterogeneous and pH-dependent kinetics of the primary proton transfer step in the bacteriorhodopsin photocycle: An electrostatic model, e. Schamagl and S.F. Fischer Reaction path Hamiltonian analysis of the dynamics for Cl- + CH 3 Br ---> CICH 3 + BrSN2 nucleophilic substitution, H. Wang and W.L. Hase Spin-correlated radical pairs in micellar systems: mechanism of CIDEP and the micelle size dependence, V.F. Tarasov, H. Yashiro, K. Maeda, T. Azumi and LA Shkrob An ab initio perturbed ion study of structural properties of Ti0 2 , Sn0 2 and Ge0 2 rutile lattices, Ae. Camargo, J.A Igualada, A. Beltran, R. Llusar, E. Longo and J. Andres Preferential solvation study: Solvation of sodium chloride in water-hydroxylamine mixtures, S. Vizoso and B.M. Rode The use of locally dense basis sets in correlated NMR chemical shielding calculations, D.B. Chesnut and E.F.e. Byrd Correlation effects in the long-range coupling between acetylenic 'IT-electrons in a series of a,w-diethynyl[n]staffanes (n = 1-5), M. Braga Molecular dynamics study of infinitely dilute aqueous solutions of small biological molecules. Calculation of the static and dynamic properties of formaldehyde, S. Tolosa and lA Sanson Molecular dynamics simulations of water/metal and water/vacuum interfaces with a polarizable water modeJ, A. Kohlmeyer, W. Witschel and E. Spohr Exploratory Pariser-Parr-Pople investigation of the static first hyperpolarizability of polymethineimine chains, D. Jacquemin, B. Champagne, J.-M. Andre and B. Kirtman Optically pumped laser emission in K 2 involving rovibrational levels near the B 1n u state dissociation limit, B.K. Clark, J.M. Standard, Z.J. Smolinski, D.P. Ripp and J.R. Fleming On the sampling of microcanonical distribution for rotating triatomic molecules, I. Rosenblum, E.L Dashevskaya, E.E. Nikitin and I. Oref Ab initio calculation of the intermolecular potential energy surface of (C0 2 )2 and first applications in simulations of fluid CO 2 , M. Welker, G. Steinebrunner, J. Solca and H. Huber Fast translational thermalization of extreme disequilibrium induced by cluster impact, T. Raz and R.D. Levine The formalism and matrix elements of a complete potential-harmonic scheme for directly solving the SchrOdinger equation of the helium atom, Y.-X. Wang and e.-H. Deng A study of solvent dynamical effects on nonadiabatic electron transfer reaction rates, A. Samanta and S.K. Ghosh On the calculation of hydrogen NMR chemical shielding, D.E. Chesnut A new potential for the description of intermolecular interactions for rigid biaxial molecules, V.V. Ginzburg, M.A. Glaser and N.A Clark

45

212 (1996) 61 212 (1996) 89 212 (1996) 207

2 12 (1996) 221

212(1996)231 212 (1996) 247 212 (1996) 353 212(1996)381 213 (1996) 77 213 (1996) 153 213 (1996) 159

213 (1996) 203 213 (1996) 211 213 (1996) 217

213 (1996) 229 213 (1996) 243

213 (1996) 253 213 (1996) 263 214 (1997) 33 214 (1997) 61 214 (1997) 73 214 (1997) 253

46

Subject index to volume 211-220

Water residence times around copper plastocyanin: a molecular dynamics simulation approach, e. Rocchi, A.R Bizzani and S. Cannistraro Calculation of ground- and excited-state potential energy curves for the Hg 2 molecule in a pseudopotential approach, E. Czuchaj, F. Rebentrost, H. Stoll and H. Preuss Using triazine as coupling unit for intra and intermolecular ferromagnetic coupling I, 1. Zhang and M. Baumgarten Hybridizations of fullerenes: their relations with properties and applications in computation, X.P. Yu, Z.L. Cao and RS. Han Comparison of the numerical matrix multiplication and quantum Monte Carlo simulations: calculation of spatial delocalization parameters, RG. Schmidt, M.e. Bahm and J. Brickmann Is He H - a stable system?, G.L. Bendazzoli, S. Evangelisti and F. Passarini The origin and temperature dependence of the single particle, methyl-group rotational potential in acetic acid, M.R. Johnson, M. Neumann, B. Nicolai, P. Smith and GJ. Kearley Calculation of the solvent reorganization free energy in the dielectric cavity model, E.L. Mertz, E.D. German and A. M. Kuznetsov Cotton-Mouton effect and shielding polarizabilities of ethylene: an MCSCF study, S. Coriani, A. Rizzo, K. Ruud and T. Helgaker Vibrational analyses of the tetrathiosquarate ion based on ab initio molecular orbital and density functional calculations: Effect of the Jahn-Teller distortion in the excited electronic state on Raman intensities, H. Torii, M. Tasumi, I.M. Bell and RJ.H. Clark Accurate density-functional calculation of core-electron binding energies with a scaled polarized triple-zeta basis set. (II). Confirmation with a total of seventy-six cases, M. Pulfer, e.-H. Hu and D.P. Chong Accurate density-functional calculation of core-electron binding energies with a scaled polarized triple-zeta basis set. (III), Extension to open-shell molecules, C.-H. Hu and D.P. Chong Structure and selective visible photodissociation of the 03:Br2 and 03:BrCl complexes: an infrared matrix isolation and ab initio study, M. Bahou, L. Schriver-Mazzuoli, A. Schriver and P. Chaquin Orientational correlations in liquid carbon tetrabromide: a neutron diffraction and RMC study, I. Bako, J.C. Dore and D.W. Huxley Symmetrised quantum-mechanical force-fields and INS spectra: s-triazine, trichloro-s-triazine and pyrazine, GJ. Kearley, J. Tomkinson, A. Navarro, JJ. Lopez Gonzalez and M. Fernandez Gomez Increase and saturation of the third order hyperpolarizabilities in homologous series of symmetric cyanines, W. Wemcke, M. Pfeiffer, T. Johr, A. Lau, W. Grahn, H.-H. Johannes and L. Dahne Water structuring around complex solutes: theoretical modeling of a-D-glucopyranose, B. Leroux, H. Bizot, J.W. Brady and V. Tran Theoretical study of multiple high-order harmonic generation by intense ultrashort pulsed laser fields: A new generalized pseudospectral time-dependent method, X.-M. Tong and S.-I. Chu Femtosecond quantum dynamics of photoassociation reactions: the exciplex formation of mercury, P. Backhaus and B. Schmidt Femtosecond pump-probe spectroscopy of electron-transfer systems: a nonperturbative approach, B. Wolfseder, L. Seidner, G. Stock and W. Domcke

214 (1997) 261 214 (1997) 277 214 (1997) 291 215 (1997)

215 (1997) 207 215 (1997) 217

215 (1997) 343 215 (1997) 355 216 (1997) 53

216 (1997) 67

216 (1997) 91

216 (1997) 99

216 (1997) 105 216 (1997) 119

216 (1997) 323

216 (1997) 337 216 (1997) 349

217 (I 997) 119 217 (1997) 131 217 (1997) 275

Subject index to volume 211-220

A time-independent wavepacket approach to the (t, t')-method for treating time-dependent Hamiltonian systems, S.c. Althorpe, D.J. Kouri, D.K. Hoffman and N. Moiseyev A theory of coherent control of reaction dynamics based on the optimization of a linear time-invariant system with complex variables, Y. Watanabe, H. Umeda, Y. Ohtsuki, H. Kono and Y. Fujimura A simulation of ultrafast state-selective IR-laser-controlled isomerization of hydrogen cyanide based on global 3D ab initio potential and dipole surfaces, W. Jakubetz and B.L. Lan Learning control of quantum-mechanical systems by laboratory identification of effective input-output maps, M.Q. Phan and H. Rabitz Microsolvation of Cl anion by water clusters: Perturbative Monte Carlo simulations using a hybrid HF/MM potential, T.N. Truong and E.V. Stefanovich Nature of the magnetic interaction of Wurster's radicals in the solid state, F. Dietz, N. Tyutyulkov, C. Christen and K. Liiders Molecular dynamics simulation of NaCI solutions in methanol-water mixtures. Intramolecular vibrations of the solvent components, E. Hawlicka and D. Swiatla-Wojcik Simulation of the SiH (A 2a --4 X 2 n) emission spectrum in a silane glow discharge and derivation of an improved set of molecular constants, S. Stamou, D. Mataras and D. Rapakoulias Symmetry adapted basis defect patterns for analysis of the effects of energy disorder on cyclic arrays of coupled chromophores, H.-M. Wu and G.J. Small Theoretical study on adsorption and proton exchange reaction of H 2 0 on H-form zeolite, N. Tajima, T. Taketsugu and K. Hirao Uncoupled effective Hamiltonians for molecules with several vibrational modes coupled by Coriolis and centrifugal terms, M.S. Krishnan and T. Carrington Jr. C 90 temperature effects on relative stabilities of the IPR isomers, Z. Slanina, X. Zhao, S.-L. Lee and E. Osawa Commensurability and transformations of adsorbed phases on a heterogeneous solid with periodic distribution of surface energy, J. Cortes and E. Valencia The unusual effect of reagent vibrational excitation on the rates of endothermic and exothermic elementary combustion reactions, A. Lifshitz and H. Teitelbaum Alternative calculations for internal rotations: Assessment via Mathieu and multi-Fourier term potentials, W.E. Mellor, A.R. Lee and T.M. Kalotas Localization of (J' molecular orbitals: towards a better description of the electronic excited states of large conjugated molecules, A. Germain and P. Millie Highly correlated QDPT-CI calculations of valence and core photoelectron spectra of Ne, G. Fronzoni and P. Decleva Quantum effects in adiabatic electrochemical electron-transfer reactions, M.T.M. Koper, J.-H. Mohr and W. Schmickler A three-body calculation for collision-induced dissociation, K. Sakai Two-level system with noise: Blue's function approach, E. Gudowska-Nowak, G. Papp and J. Brickmann Structure and dynamics at the surface of a concentrated aqueous solution of CsF, J. Dietter and H. Morgner The tunneling frequencies of the isotopic forms of methane in rare-gas solids, D. Smith Classification of Cm I energy levels using PCA-BPN and PCA-NLM, X. Cao, H. Liu and N. Chen

47

217 (1997) 289

217 (1997) 317

217 (1997) 375 217 (1997) 389 218 (1997) 31 218 (1997) 43 218 (1997) 49

218 (1997) 57 218 (1997) 225 218 (1997) 257 219 (1997) 31 219 (1997) 193 219 (1997) 235 219 (1997) 243 219 (1997) 257 219 (1997) 265 220 (1997) 15 220 (1997) 95 220 (1997) 115 220 (1997) 125 220 (1997) 261 220 (1997) 279 220 (1997) 289

48

Subject index to IJolume 2/1-220

Extended Fenske-Hall LeAO MO calculations of core-level shifts in solid P compounds, R Franke, T. Chasse, J. Reinhold, P. Streubel and R Szargan

Molecular dynamics and scattering theory Spin-orbit effects in fullerenes, F.J. Adrian Optical potential discrete variable representation method applied to the three-dimensional calculations of NeICI predissociation resonances, M. Monnerville and ].-M. Robbe Stochastic wave packet vs. direct density matrix solution of Liouville-von Neumann equations for photodesorption problems, P. Saalfrank An improved classical approach quantum encounter treatment of collision-induced vibrational energy transfer. Application to He + CO (n; = 1,2), N. Markovic, T.D. Sewell, S. Nordholm and A Miklavc An investigation of the photodissociation of molecular oxygen in the 75 to 85 nm region, A.L. Jones, A.J. Blake, L. Torop and D.G. McCoy Translational spectroscopy of H- produced by collision induced dissociation of H; on He, H. Martinez and A Amaya-Tapia Dynamics of the vibrational mode-specific proton transfer reaction NH ~ ( v I) + NH 3 --) NH 2 + NH;: ab initio MO and classical trajectory studies, H. Tachikawa A QMjMM simulation method applied to the solution of Li + in liquid ammonia, 1'. Kerdcharoen, K.R. Lied! and B.M. Rode Generalized oscillator strengths for SF6 in the S 2p inner-shell region, Z. Felfli, I. Fomunung, D. Bessis and A.Z. Msezane Kohlrausch relaxation in electronic and molecular glasses, J.e. Phillips Dynamic effects in non-adiabatic charge transfer, E. Gudowska-Nowak Reaction path Hamiltonian analysis of the dynamics for CI- + CH 3 Br --) CICH} + BrSN 2 nucleophilic substitution, H. Wang and W.L. Hase A theoretical test of the pairwise energy modd for reactive cross sections, ].-8. Song and E.A Gislason A partially ergodic multiple encounter theory of collisional energy transfer, L.E.B. Borjesson and S. Nordholm On the sampling of microcanonical distribution for rotating triatomic molecules, I. Rosenblum, E.I. Dashevskaya, E.E. Nikitin and 1. Oref Ab initio calculation of the intermolecular potential energy surface of (C0 2 )2 and first applications in simulations of fluid CO 2 , M. Welker, G. Steinebrunner, J. Solca and H. Huber Fast translational thermalization of extreme disequilibrium induced by cluster impact, T. Raz and RD. Levine Second harmonic generation in partially ordered media and at interfaces: analysis of dynamical and orientational factors, D.L. Andrews and I.D. Hands An IPA procedure for bound-continuum diatomic transition intensities, V.S. Ivanov and V.B. Sovkov A critical analysis of the two-dimensional atom ellipsoid model to study rotational collisions, J.e. Belchior and J.P. Braga A new method of calculating exponential operators for scattering problems, AV. Storozhev Rotational relaxation of nitrogen in helium, A.E. Belikov, R.G. Sharafutdinov and AV. Storozhev The anharmonic effect as originated from the asymmetry of a rotor. The case study of an asymmetric rotor coupled with a simple harmonic oscillator, G. Wu

220 (1997) 299

211 (1996) 73 211 (1996) 249 21 I ([996) 265

211 (1996)277 21 1(1996) 291 211 (1996) 299 211 (1996) 305 21 1(1996) 313 211(1996)325 212 (1996) 41 212 (1996) I IS 212 (1996) 247 212 ( 1996) 259 212 (1996) 393 213 (1996) 243

213 (1996) 253 213 (I996) 263 213 (1996) 277 213 (1996) 295 213 (1996) 303 213 (1996) 313 213 (1996) 319 214 (1997) 15

49

Subject index to volume 2J 1- 220

Application of the pairwise energy model to various isotopic variations of the H + H 2 reaction, 1.-B. Song and E.A. Gislason A classical approach to resonant low-energy electron scattering off molecules: application to the aI-shape resonance of CF3 CI, L. Lehr, 1. Manz and W.H. Miller A study of the IB2 excited state geometries of the metal-metal quadruply bonded compounds M0 2XiPMe 3)4 (X = CI, Br or I), C. Svendsen, M.J. Nielsen, O.S. Mortensen, S.l.R. Allers and R.J.H. Clark On the 02( Vi) + 02( v") atmospheric reaction: a quasiclassical trajectory study, A.J.C. Varandas and W. Wang Imaging of the HOMO electron density in Cr(CO)6' MO(CO)6 and W(CO)6 by electron momentum spectroscopy: a comparison with Hartree-Fock and DFf calculations, 1. Rolke, Y. Zheng, C.E. Brion, S.J. Chakravorty, E.R. Davidson and I.E. McCarthy Interaction forces and energy transfer dynamics of LiH( I k +) and helium atoms. II. Rotationally inelastic collisions and excitation efficiency, FA. Gianturco, S. Kumar, S.K. Pathak, M. Raimondi and M. Sironi Rotation/precession of NH 3 groups in Hofmann clathrates, M. Neumann and G.l. Kearley The effect of middle range forces on the rate constant of a fast chemical reaction within adiabatic capture theory, A. Beghin and T. Stoecklin Poly-amino-enolates: first examples of odd altemant conducting polymers, A.J.W. Tol On the determination of Dg(CaBr) from translational energy threshold measurements, M. Garay Salazar, 1.M. Orea and A. Gonzalez Urena Vibronic theory of electric hysteresis in "bistable" mixed-valence molecular salts, K. Boukheddaden and F Varret Disordered surfaces: a smoothed He-target scattering potential for metal atoms adsorbed on metal surfaces, G. Petrella, L. Cassidei and F Ciriaco A weak-mode representation of floppy molecules. Part IV. Spectroscopic states of model HCN and CNH, X. Chapuisat, C. Saint-Espes, C. Zuhrt and L. Ziilicke Femtosecond quantum dynamics of photoassociation reactions: the exciplex formation of mercury, P. Backhaus and B. Schmidt Phase-space localization and level spacing distributions for a driven rotor with mixed regular/chaotic dynamics, T. Gorin, H.J. Korsch and B. Mirbach Stimulated emission processes and strong field effects in ultrashort pulse excitation of a predissociative molecule, H. Dietz, A. Matemy and V. Engel A time-independent wavepacket approach to the Ct, t')-method for treating time-dependent Hamiltonian systems, S.c. Althorpe, D.l. Kouri, D.K. Hoffman and N. Moiseyev Optimal pump-dump control, Y.l. Yan, 1. Che and 1.L. Krause Simultaneous control of selectivity and yield of molecular dissociation. Pulsed incoherent interference control, M. Shapiro, Z. Chen and P. Brumer Theory of ultrafast laser control for state-selective dynamics of diatomic molecules in the ground electronic state: vibrational excitation, dissociation, spatial squeezing and association, M.V. Korolkov, 1. Manz and G.K. Paramonov Learning control of quantum-mechanical systems by laboratory identification of effective input-output maps, M.Q. Phan and H. Rabitz Lie algebraic method for vibrational and rotational transitions in inelastic collisions of a molecule with a solid surface, D. Guan, X. Yi, S. Ding and B. Yang Molecular dynamics simulation of NaCI solutions in methanol-water mixtures. Intramolecular vibrations of the solvent components, E. Hawlicka and D. Swiatla-Wojcik

214 (1997) 23 214 (1997) 301

215 (1997) 89 215 (1997) 167

215 (1997) 191

215 (1997) 239 215 (1997) 253 215 (1997) 261 215 (1997) 319 216 (1997) 365 216 (1997) 373 216 (1997) 391 217(1997) 43 217 (1997) 131 217 (1997) 145 217 (1997) 249 217 (1997) 289 217 (1997) 297 217 (1997) 325

217 (1997) 341 217 (1997) 389 218 (1997) 218 (1997) 49

50

SubjecJ index J() /'O/ume 2/1-220

A full quantum study of the vibrational predissociation mechanisms in Ar; cluster, E. Buonomo, F.A. Gianturco, M. Pilar de Lara, S. Miret-Artes, G. Delgado-Barrio and P. Villarreal Direct calculation of electronic Raman scattering intensity for Ce3+ in Cs 2 NaCeCI 6 , M. Chua and P.A. Tanner "Free" nuclear density propagation in two dimensions. The coupled-channel density matrix method and its application to inelastic molecule-surface scattering, L. Pesce and P. Saalfrank Molecular dynamics simulations of a potassium ion and an iodide ion in liquid ammonia, A. Tongraar, S. Hannongbua and B.M. Rode The relationship between the molecular structure of semiquinone radicals and their g-values, M. Kniipling, J.T. Tarring and S. Un Diatomics-in-molecules study of the ground and excited states of H 3, A.K. Belyaev and A.S. Tiukanov Scattering of large argon clusters from a Pt( 1II) surface with low collision velocities, M. Svanberg, N. Markovic and J.B.C Pettersson Structure and dynamics at the surface of a concentrated aqueous solution of CsF, J. Dietter and H. Morgner Spectroscopic investigation of ground state pyrrole ( 12 C 4 H s N): the N-H stretch, A. Mellouki, R. Georges, M. Herman, D.L. Snavely and S. Leytner Forward and reverse excitation energy transport in concentrated two-component systems, P. Bojarski and L. Kulak Reaction dynamics of the CaCD~, .1 Pj )+CH 3 I-)CaI' +CH 3 system: chemiluminescence, energy disposal and product polarization, J.M. Orea, A. Laplaza, CA. Rinaldi, G. Tardajos and A. Gonzalez Urena

218 (1997) 71 218 (1997) 83

219(1997) 43 219 (1997) 279 219 (1997) 291 220 (1997) 43 220 (1997) 137 220 (1997) 261 220 ( 1997) 311 220 ( 1997) 323

220 (1997) 337

Experimental

Magnetic resonances Order parameters and carbon shielding tensors of bis-MSB from U c NMR measurements in a nematic liquid crystal, R. Tarroni and C Zannoni Time evolution of the rate constant for the tunneling reaction H 2 + D -) H + HD in solid D 2-H 2 mixtures at very low temperature, T. Kumada, Y. Aratono and T. Miyazaki Reversible conformation change of free radicals in X-irradiated glutarimide single crystals studied by ENDOR, N.A. Salih, 0.1. Eid, N.P. Benetis, M. Lindgren, A. Lund and E. Sagstuen Effect of ethanol addition upon the structure and the cooperativity of the water H bond network. R. Lamanna and S. Cannistraro Calculation of triplet-singlet transition efficiencies controlled by relative rotational diffusion of the two constituents of covalently linked radical pairs, K.M. Salikhov, J. SchlUpmann, M. Plato and K. Mobius Methyl radicals migration in glassy ethanol-I,2 d s at 90 K as studied by hydrogen atom abstraction from the additives, V.L. Vyazovkin and V.A. Tolkatchev Electron paramagnetic resonance of NiOO doped tris(ethylenediamine)zinc(II) dinitrate, CR. Wilson, M.J. Riley. D. Wang and G.R. Hanson A contribution to the theory of OD EPR of spin-correlated radical pairs, K.M. Salikhov, Y. Sakaguchi and H. Hayashi

21 1(1996) 337 212 (1996) 177

212 (J 996) 409 213 (1996) 95

215 (1997) 23 216 (1997) 135 217 (1997) 63 220 () 997) 355

SubjecI index 10 volume 211-220

Cyclotron resonance Nonradiative processes and infrared emiSSIOn in matrix isolated ND, N. Caspary, B.E. Wurfel, AM. Smith and V.E. Bondybey Microwave spectroscopy Rotational and vibrational excitation of the N; (B) state in a He + N z electron-beam plasma, AE. Belikov Construction of a molecular beam Fourier transform microwave spectrometer used to study the 2.5-dihydrofuran-argon van der Waals complex, J.L. Alonso, FJ. Lorenzo, J.e. Lopez, A. Lesarri, S. Mata and H. Dreizler Infrared spectroscopy Ab initio calculations of the rovibrational states of He z N Z +, J.M. Hughes and E.I. von Nagy-Felsobuki Multiple absorption and relaxation processes in SF6 -CH 4 mixtures: an experimental study, J. Jovanovic-Kurepa, D.D. Markusev and M. Terzic Infrared spectroscopy of matrix-isolated carbon clusters, with emphasis on C 8 and C 9 ' J. Szczepanski, S. Ekern, e. Chapo and M. Vala Isotope effects in the photochemical formation of HHgCH 3 and DHgCD 3 in nitrogen and methane matrices, N. Legay-Sommaire and F. Legay Conformational studies of cyclopropylcarbonyl fluoride from temperature dependent FT-IR spectra of xenon solutions, J.R. Durig, S. Shen, W. Zhao and L. Zhou Conformational studies of propenoyl chloride in liquid xenon from temperature dependent FT-IR spectra, J.R. Durig, Y. Li and Y. Jin IR induced isomerisation of HDO complexes: a method for the observation of FIR spectra of matrix isolated water complexes, A Engdahl and B. Nelander Vibrational dephasing in bromocyclohexane: how to separate contributions from different mechanisms, M. Kolodziejski, G. Waliszewska and H. Abramczyk A spectroscopic and photoisomerisation study of bromine dioxides in argon matrices, J. KOIm, A. Engdahl, O. Schrems and B. Nelander Electron attachment products of methylene chloride in solid argon: an experimental and quantum chemical IR spectroscopic study, A. Richter. H. Meyer. T Kausche, T Miiller, W. Sporleder and A Schweig Spectroscopy and photophysics of C 6o H 18 and C 60 H36' R.V. Bensasson, TJ. Hill, EJ. Land, S. Leach, D.J. McGarvey, TG. Truscott, J. Ebenhoch, M. Gerst and e. Riichardt Matrix isolation and theoretical studies of ONNO: Assignment of a new combination band and density functional calculations, J.F. Canty, E.G. Stone, S.B.H. Bach and D.W. Ball Structure and selective visible photodissociation of the 03:Brz and 03:BrCl complexes: an infrared matrix isolation and ab initio study. M. Bahou, L. Schriver-Mazzuoli, A. Schriver and P. Chaquin Symmetrised quantum-mechanical force-fields and INS spectra: s-triazine, trichloro-s-triazine and pyrazine, GJ. Kearley, J. Tomkinson, A Navarro, JJ. Lopez Gonzalez and M. Fernandez Gomez Infrared bands of mass-selected carbon chains C n (n = 8-12) and C; (n = 5-10, 12) in neon matrices, P. Freivogel, M. Grutter, D. Forney and J.P. Maier A weak-mode representation of floppy molecules. Part IV. Spectroscopic states of model HCN and CNH, X. Chapuisat, e. Saint-Espes, e. Zuhrt and L. Ziilicke Vibrational spectrum and structure of LiOSi. An infrared matrix isolation and density functional theory study, B. Tremblay, M.E. Alikhani and L. Manceron

51

220 (1997) 241

215 (I 997) 97

218 (J997) 267

211 (J996) 135 211 (J996) 347 211 (J996) 359 211 (I 996) 367 213 (1996) 165 213 (I 996) 181 213 (J996) 333 213 (J996) 341 214 (I 997) 313

214 (J997) 321 215 (J997) III 216 (I 997) 81

216 (I 997) 105

216 (I 997) 323 216 (1997) 401 217 (J997) 43 218 (J997) 37

52

Subject index to volume 211-220

The influence of the interaction of carbonyl compounds with the matrix walls on phosphorescence of their solution in porous glasses, S.A. Bagnich Infrared spectroscopy of aniline-X (X = N 2, CH 4 , CHF3 , CO) clusters and their corresponding cluster cations in the NH 2-stretching vibration region, RP. Schmid, P.K. Chowdhury, J. Miyawaki, F. Ito, K. Sugawara, T Nakanaga, H. Takeo and H. Jones Infrared photoisomerization of the methanol dimer trapped in argon matrix: monochromatic irradiation experiments and DFT calculations, S. Coussan, Y. Bouteiller, A. Loutellier, JP. Perchard, S. Racine, A. Peremans, W.Q. Zheng and A Tadjeddine Spectroscopic investigation of ground state pyrrole (I2C 4 H s N): the N-H stretch, A. Mellouki, R Georges, M. Herman, D.L. Snavely and S. Leytner

Raman spectroscopy Vibrational spectrum of the K-590 intermediate in the bacteriorhodopsin photocycle at room temperature: picosecond time-resolved resonance coherent anti-Raman spectroscopy, L. Ujj, F. Jager, A. Popp and G.H. Atkinson Vibrational dephasing in bromocyclohexane: how to separate contributions from different mechanisms, M. Kolodziejski, G. Waliszewska and H. Abramczyk Influence of pressure on the ferroelectric phase transition in a symmetrical polymerizable diacetylene crystal DNP, J. Even, M. Bertault, A Girard and Y. Delugeard A study of the I B2 excited state geometries of the metal-metal quadruply bonded compounds M0 2X 4 (PMe 3 )4 (X = CI, Br or I), C. Svendsen, M.J. Nielsen, O.S. Mortensen, S.1.R Allers and R.1.H. Clark Spectroscopy and photophysics of C 60 H 18 and C 6o H 36 , RV. Bensasson, T.J. Hill, EJ. Land, S. Leach, DJ. McGarvey, TG. Truscott, J. Ebenhoch, M. Gerst and C. Rtichardt Vibrational analyses of the tetrathiosquarate ion based on ab initio molecular orbital and density functional calculations: Effect of the Jahn-Teller distortion in the excited electronic state on Raman intensities, H. Torii, M. Tasumi, I.M. Bell and RJ.H. Clark Symmetrised quantum-mechanical force-fields and INS spectra: s-triazine, trichloro-s-triazine and pyrazine, G.1. Kearley, 1. Tomkinson, A Navarro, J.1. Lopez Gonzalez and M. Fernandez Gomez Increase and saturation of the third order hyperpolarizabilities in homologous series of symmetric cyanines, W. Werncke, M. Pfeiffer, T Johr, A. Lau, W. Grahn, H.-H. Johannes and L. Diihne Raman bandshape analysis of oxocarbon ions in aqueous solutions, M.C.C. Ribeiro, L.F.C. de Oliveira and P.S. Santos Direct calculation of electronic Raman scattering intensity for Ce 3 + in Cs 2NaCeCI 6 , M. Chua and P.A. Tanner Fast collision-induced redistribution of vibrational energy in halogenated methanes, AA. Kosterev, A.A. Makarov, A.L. Malinovsky and E.A Ryabov Visible and UV spectroscopy Potential energy curve of the XO+(1 L +) ground state of HgAr determined from AO+(3n) -+ XO+ and B leL +) -+ XO+ fluorescence spectra, J. Koperski An investigation of the photodissociation of molecular oxygen in the 75 to 85 nm region, AL. Jones, AJ. Blake, L. Torop and D.G. McCoy Photophysics and photochemistry of 12 (D, D') in rare gas clusters, K.L. Randall and DJ. Donaldson

218 (1997) 277

218 (1997) 291

219 (1997) 221 220 (1997) 311

212 (1996) 421 213 (1996) 341 213 (1996) 357

215 (1997) 89 215 (1997) III

216 (1997) 67

216 (1997) 323

216 (1997) 337 217 (1997) 71 2 I8 (1997) 83 219 (1997) 305

211 (1996) 191 211 (1996) 291 211 (1996) 377

53

Subject index to volume 2//-220

Absorption cross section measurements of water vapor in the wavelength region 120 to 188 nm, K. Yoshino, J.R Esmond, W.H. Parkinson, K. Ito and T. Matsui Fast-ion beam laser spectroscopy of 14 N; and 15 N;: high-resolution study of the (1,2) band of the B 2I; -X 2I; system, K. Boudjarane, A. Alikacem and M. Larzilliere Pressure effects on the CliD' -X) transition at 258 nm, J.B. Nee and S. Hubinger The orientation of the transition dipole moments of TMA-DPH embedded in a poly(vinylalcohoO film, J.M. Muller, D.H. Harryvan, J.e.D. Verhagen, G. van Ginkel and E.E. van Faassen A temperature-dependent effective potential explains CO binding to myoglobin, N. Agmon and G.M. Sastry Time-resolved spectroscopy of wild-type and mutant Green Fluorescent Proteins reveals excited state deprotonation consistent with fluorophore-protein interactions, H. Lossau, A Kummer, R. Heinecke, F. Pollinger-Dammer, C. Kompa, G. Bieser, T. Jonsson, e.M. Silva, M.M. Yang, D.e. Youvan and M.E. Michel-Beyerle An ab initio study of the potential energy surface in the S I state of 2-hydroxypyridine, A.L. Sobolewski and L. Adamowicz Interatomic potentials for XO + and B31 states of intercombination cadmium line 326.1 nm broadened by Ar pressure, G.D. Roston, M.S. Helmi and T. Grycuk Dissociative excitation of CH 4 by electron impact: Emission cross sections for the fragment species, K. Motohashi, H. Soshi, M. Ukai and S. Tsurubuchi Photodissociation dynamics of HN/DN) + hv ----) H(D) + N3, M. Lock, K.-H. Gericke and FJ. Comes Polarization propagator study of electronic excitation in key heterocyclic molecules!. Pyrrole, AB. Trofimov and J. Schirmer The molecular and electronic states of 1,2,4,5-tetrazine studied by VUV absorption, near-threshold electron energy-loss spectroscopy and ab initio multi-reference configuration interaction studies, M.H. Palmer, H. McNab, D. Reed, A Pollacchi, I.e. Walker, M.F. Guest and M.R.F. Siggel A spectroscopic and photoisomerisation study of bromine dioxides in argon matrices, J. Kolm, A. Engdahl, O. Schrems and B. Nelander Electron attachment products of methylene chloride in solid argon: an experimental and quantum chemical IR spectroscopic study, A Richter, H. Meyer, T. Kausche, T. Muller, W. Sporleder and A. Schweig Optical spectroscopy, fluorescence dynamics and crystal-field analysis of Er H in YV04 , J.A Capobianco, P. Kabro, F.S. Ermeneux, R. Moncorge, M. Bettinelli and E. Cavalli Charge-transfer states and the band gap in crystalline fullerene, A Eilmes, R.W. Munn, B. Pac and P. Petelenz Dispersive u'ansport of triplet excitation of benzaldehyde in solid ethanol solution, S.A Bagnich Vacuum-UV fluorescence spectroscopy of CF3X (X = F,H,CI,Br) in the range 10-30 eV, H. Biehl, KJ. Boyle, RP. Tuckett, H. Baumgiirtel and H.W. Jochims Ultraviolet absorption and cross sections of propargyl (C 3H 3) radicals in the 230-300 nm region, A Fahr, P. Hassanzadeh, B. Laszlo and RE. Huie A study of the 1 B 2 excited state geometries of the metal-metal quadruply bonded compounds Mo 2 XiPMe 3)4 (X = CI, Br or 0, e. Svendsen, MJ. Nielsen, O.S. Mortensen, SJ.R Allers and RJ.H. Clark Spectroscopy and photophysics of C 6o H 18 and C 6o H 36 , R.V. Bensasson, TJ. Hill, E.J. Land, S. Leach, DJ. McGarvey, T.G. Truscott, J. Ebenhoch, M. Gerst and e. Riichardt

211 (1996) 387 211 (1996) 393 211 (1996) 403

211 (1996) 413 212 (1996) 207

213 (1996) 213 (1996) 193 213 (1996) 365 213 (1996) 369 213 (1996) 385 214 (1997) 153

214 (1997) 191 214 (1997) 313

214 (1997) 321 214 (1997) 329 214 (1997) 341 214 (1997) 351 214 (1997) 367 215 (1997) 59

215 (1997) 89 215 (1997) 111

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Subject index to volume 211-220

Reported blue upconversion from U 4 + doped into Cs 2 ZrCI 6 single crystals under green laser excitation, P.A Tanner, J. Dexpert-Ghys, Z.W. Pei and J. Lin Sol-gel hosts doped with porphyrin derivatives. Part 1. Spectroscopy, hole-burning and spectral diffusion, S.G. Kulikov, AV. Veret-Lemarinier, J.P. Galaup, F. Chaput and J.P. Boilot Sol-gel hosts doped with porphyrin derivatives. Part II. Site selection spectra and vibronic analysis, S.M. Arabei, S.G. Kulikov, A.V. Veret-Lemarinier and J.P. Galaup Photophysics of trans-stilbene analogues: indolo[3,2-b lindole and its heterosubstituted sulfur and selenium derivatives, S. Dobrin, P. Kaszynski, S. Ikeda and J. Waluk Ion pairing of bisdimethylamino pentamethinecyanine perchlorate and its consequences on the cis-trans photoisomerization dynamics, G. Ponterini Infrared bands of mass-selected carbon chains C n (n = 8-12) and C ~ (n = 5-10, 12) in neon matrices, P. Freivogel, M. Grutter, D. Forney and J.P. Maier The phosphorescence excitation spectrum of jet-cooled 4-H-I-benzopyrane-4-thione, A.A. Ruth, FJ. O'Keeffe, RP. Brint and M.W.D. Mansfield Simulation of the SiH (A 2a -+ X 2n) emission spectrum in a silane glow discharge and derivation of an improved set of molecular constants, S. Stamou, D. Mataras and D. Rapakoulias Quantitative studies of the photoabsorption and photoionization of PCI 3 in the valence and inner (P 2p,2s; CI 2p,2s) shell regions, l.W. Au and e.E. Brion Absolute oscillator strengths for the valence-shelI photoabsorption (2-200 eV) and the molecular and dissociative photoionization (11-80 eV) of nitrogen dioxide, l.W. Au and e.E. Brion Absolute photoabsorption and photoionization studies of methyl bromide using dipole electron impact and synchrotron radiation PES technique, T.N. Olney, G. Cooper, W.F. Chan, G.R Burton, e.E. Brion and K.H. Tan The electronic structure of 4-(N,N-dimethylamino)-4'-cyano-biphenyl and its planar and twisted model compounds, M. Maus and W. Rettig Temperature of neutral clusters produced in a seeded molecular beam, and energy transfer during the photoionization process, Ph. Dugourd, D. Rayane, R. Antoine and M. Brayer Reverse saturable absorption in palladium and zinc tetraphenyltetrabenzoporphyrin doped xerogels, M. BruneI, F. Chaput, S.A. Vinogradov, B. Campagne, M. Canva, J.P. Boilot and A Brun Ab initio calculation of the electronic spectrum and ionization potentials of hydrazine, M.-P. Habas, 1. Baraille, e. Larrieu and M. Chaillet Localization of IT molecular orbitals: towards a better description of the electronic excited states of large conjugated molecules, A Germain and P. Millie Enhanced nonlinear optical properties and thermal stability of donor-acceptor substituted oligothiophenes, F. Steybe, F. Effenberger, S. Beckmann, P. Kramer, e. Glania and R Wortmann Ruorescence excitation spectroscopy of some haloethenes, CF2 =CXY (XY == FCI, C1 2 , FH), excited in the vacuum ultraviolet (70-180 nm), M. Ahmed, CJ. Apps, MJ. Bramwell, J.L. Cooper, e. Hughes, K. Reinhardt, J.e. Whitehead, F. Winterbottom and A. Hopkirk Collision-induced electronic transitions in complexes between benzene and molecular oxygen, B.F. Minaev, K.V. Mikkelsen and H. Agren Spectroscopic properties of chlorophylls and their derivatives. Influence of molecular structure on the electronic state, Y. Nonomura, S. Igarashi, N. YOShioka and H. Inoue

215 (1997) 125

216 (1997) 147 216 (1997) 163 216 (1997) 179 216 (1997) 193 216 (1997) 401 217 (1997) 83

218 (1997) 57 218 (1997) 87

218 (1997) 109

218 (1997) 127 218 (1997) 151 218 (1997) 163

218 (1997) 301 219 (1997) 63 219 (1997) 265

219 (1997) 317

219 (1997) 333 220 (1997) 79 220 (1997) 155

55

Subject index to volume 21 J-220

Line broadening in a polymer glass as investigated by stimulated photon echo spectroscopy: spectral diffusion versus heating effects, S.I. Zilker and D. Haarer Non-exponential decays of the Sj vibronic levels of acetaldehyde, S.-H. Lee and I.-e. Chen VUV optical-absorption and electron-energy-loss spectroscopy of formamide, J.M. Gingell, N.I. Mason, H. Zhao, I.e. Walker and M.R.F. Siggel The photoabsorption spectrum of vinylchloride (C 2 H 3 CI) in the 8-12 eV range, R. Locht, B. Leyh, K. Hottmann and H. Baumgiirtel Forward and reverse excitation energy transport in concentrated two-component systems, P. Bojarski and L. Kulak Reaction dynamics of the Ca( jO 2 , 3 PJ ) + CH 3 I ~ Cal * + CH 3 system: chemiluminescence, energy disposal and product polarization, J.M. Orea, A. Laplaza, e.A. Rinaldi, G. Tardajos and A. Gonzalez Urena J-aggregation and disaggregation of indocyanine green in water, F. Rotermund, R Weigand and A. Penzkofer

Fluorescence spectroscopy Pressure effects on the CllD' -A') transition at 258 nm, J.B. Nee and S. Hubinger The orientation of the transition dipole moments of TMA-DPH embedded in a poly(vinylalcohol) film, J.M. Muller, D.H. Harryvan, J.C.D. Verhagen, G. van Ginkel and E.E. van Faassen Single molecule polarization spectroscopy: pentacene in p-terphenyl, F. GUttier, M. Croci, A. Renn and U.P. Wild Higher excited-state triplet-singlet intersystem crossing of some organic dyes, S. Reindl and A. Penzkofer Photophysics of 4-dimethylamino-4'-cyanostilbene and 4-azetidinyl-4'-cyanostilbene. Time-resolved fluorescence and trans-cis photoisomerisation, Yu.V. I1'ichev, W. KUhnle and K.A. Zachariasse The charge transfer state of excited bianthryl and a derivative: solvatochromism, emission CT spectra broadening in homogeneous solvents, H. Laguitton-Pasquier, R. Pansu, J.-P. Chauvet, A. Collet, J. Faure and R Lapouyade Time-resolved spectroscopy of wild-type and mutant Green Fluorescent Proteins reveals excited state deprotonation consistent with fluorophore-protein interactions, H. Lossau, A. Kummer, R. Heinecke, F. Pollinger-Dammer, C. Kompa, G. Bieser, T. Jonsson, e.M. Silva, M.M. Yang, D.e. Youvan and M.E. Michel-Beyerle An ab initio study of the potential energy surface in the S I state of 2-hydroxypyridine, A.L. Sobolewski and L. Adamowicz Photodissociation dynamics of HN 3(DN 3 ) + hv ~ H(D) + N3 , M. Lock, K.-H. Gericke and F.I. Comes Laser-induced fluorescence excitation spectroscopy of jet-cooled tropolone-carbon monoxide van der Waals complexes, H.K. Sinha, V.I. MacKenzie and RP. Steer The photochemical reaction of excited acetophenone and benzaldehyde in the gas phase, Y. Matsushita, Y. Yamaguchi and T. Hikida Exciton scattering, k selection rule, exciton bandwidth in pyrene microcrystallites, and lattice relaxation energy for the origin of V luminescence, Y. Oeda, O. Nishi, Y. Matsushima, K. Mizuno, A.H. Matsui, M. Michinomae, M. Takeshima and T. Goto Triplet quantum yield determination by picosecond laser double-pulse fluorescence excitation, S. Reindl and A. Penzkofer

220 (I997) 167 220 (I997) 175 220 (I997) 191 220 (1997) 207 220 (1997) 323

220 (1997) 337 220 (1997) 385

211 (1996) 403

211 (1996) 413 211 (1996) 421 211 (1996) 431

211 (1996)441

212 (1996) 437

213 (1996) 213 (1996) 193 213 (1996) 385 213 (1996) 397 213 (1996) 413

213 (1996) 421 213 (1996) 429

Subject index to volume 2//-220

56

Optical spectroscopy, fluorescence dynamics and crystal-field analysis of Er3+ in YV04 , J.A. Capobianco, P. Kabro, F.S. Ermeneux, R Moncorge, M. Bettinelli and E. CavalIi The use of threshold photoelectron - fluorescence photon coincidence spectroscopy for the measurement of the radiative lifetimes of emitting states of CF3 X+ (X = F, H, CI, Br) ions, H. Biehl, K.J. Boyle, D.M. Smith and R.P. Tuckett Vacuum-UV fluorescence spectroscopy of CF3 X (X = F,H,CI,Br) in the range 10-30 eV. H. Biehl, K.J. Boyle, RP. Tuckett, H. Baumgfutel and H.W. Jochims Influence of rotational diffusion on the electric field induced effect on the tluorescence spectrum of diluted solutions. I. Theory and numerical simulations, H. Reis and W. Baumann Evaluation of luminescence decay measurements probed on pure and doped PlOV) hexahalogeno complexes I. Exponential rise time and decay curves applying various statistical tests, I. Biertumpel and H.-H. Schmidtke Factors affecting adiabaticity in bimolecular photoinduced electron transfer reaction between anthracene derivatives and organic donors, X. Allonas and P. Jacques ~ X 3 2;, Matrix-isolated oxygen: line-shapes and transition probabilities of the b I bI ~ a lLlg and a ILlg ~ X 3 2; transitions, G. Tyczkowski, U. Schurath, M. Bodenbinder and H. Willner Sol-gel hosts doped with porphyrin derivatives. Part 1. Spectroscopy, hole-burning and spectral diffusion, S.G. Kulikov, A.V. Veret-Lemarinier, J.P. Galaup, F. Chaput and J.P. Boilot Sol-gel hosts doped with porphyrin derivatives. Part II. Site selection spectra and vibronic analysis, S.M. Arabei, S.G. Kulikov, A.V. Veret-Lemarinier and J.P. GaJaup Photophysics of trans-stilbene analogues: indolo[3,2-b )indole and its heterosubstituted sulfur and selenium derivatives, S. Dobrin, P. Kaszynski, S. Ikeda and J. Waluk Analysis of the D'2 g -A'2 u transition in the molecular iodine by laser-induced-tluorescence Fourier-transform spectrometry, D. Cerny, R. Bacis, S. Churassy, D. Inard, M. Lamrini and M. Nota Crystal structure and photoluminescence of single crystals of fullerene-9,9'-tra1ls-bis(telluraxanthenyI) molecular complex: CZ6HISTez' C 60 . CS 2 , V.V. Kveder, E.A. Steinman. B.zh. Narymbetov, S.S. Khasanov, L.P. Rozenberg, R.P. Shibaeva, A.V. Bazhenov. A.V. Gorbunov, M.Yu. Maksimuk, D.V. Konarev, R.N. Lyubovskaya and Yu.A. Ossipyan Fast interactions between Rh6G and dGTP in water studied by fluorescence correlation spectroscopy, J. Widengren, J. Dapprich and R Rigler Vibron-mediated electronic relaxation in crystalline chlorine, D. Logan, CA. Wight and V.A. Apkarian The deactivation of singlet excited all-trans-I.6-diphenylhexa-1 ,3,5-triene by charge transfer processes. 2. Formation and dynamics of charge transfer (CT) intermediates, F. Schael, J. Kuster and H.-G. Lohmannsroben Application of the antibunching in dye fluorescence: measuring the excitation rates in solution, U. Mets, J. Widengren and R. Rigler Observation of fine structure and hyperfine structure depolarization in the photofragment anisotropy in triplet H 2' E.R. Wouters, LD.A. Siebbeles, K.L. Reid, B. Buijsse and W.J. van der Zande Picosecond time-resolved dual fluorescence, transient absorption and reorientation time measurements of push-pull diphenyl-polyenes: evidence for 'loose' complex and 'bicimer' species, E. Abraham, 1. Oberle, G. Jonusauskas, R Lapouyade, K. Minoshima and C. Rulliere

'2:;

'2:;

214 (1997) 329

214 (1997) 357 214 (1997) 367

214 (1997) 383

215 (1997) 271 215 (1997) 371

215 (1997) 379

216 (1997) 147 216 (1997) 163 216 (1997) 179

216 (1997) 207

216 (1997) 407 216 (1997) 417 217 (1997) 99

218 (1997) 175 218 (1997) 191

218 (1997) 309

219 (1997) 73

Subject index 10 volume 211-220

Localization of a molecular orbitals: towards a better description of the electronic excited states of large conjugated molecules, A. Germain and P. Millie Fluorescence excitation spectroscopy of some haloethenes, CF2 =CXY (XY == FCI, C1 2 , FH), excited in the vacuum ultraviolet (70-180 nm), M. Ahmed, C.J. Apps, M.J. Bramwell, J.L. Cooper, C. Hughes, K Reinhardt, J.C. Whitehead, F. Winterbottom and A. Hopkirk Collision-induced electronic transitions in complexes between benzene and molecular oxygen, B.F. Minaev, KV. Mikkelsen and H. Agren Reaction dynamics of the Ca(lD 2 , 3 p}} + CH 3 1 --> Cal' + CH 3 system: chemiluminescence, energy disposal and product polarization, J.M. Orea, A. Laplaza, C.A. Rinaldi, G. Tardajos and A. Gonzalez Urena A contribution to the theory of 00 EPR of spin-correlated radical pairs, K.M. Salikhov, Y. Sakaguchi and H. Hayashi

Photoelectron and Auger spectroscopy Vibrational structure of the BrCN+ ion from high resolution photoelectron spectroscopy, J.H.D. Eland, P. Baltzer, M. Lundqvist, B. Wannberg and L. Karlsson High-resolution threshold photoelectron spectroscopy of molecular fluorine, A.J. Cormack, A.J. Yencha, R.J. Donovan, KP. Lawley, A. Hopkirk and G.c. King Charge-transfer states and the band gap in crystalline fullerene, A. Eilmes, R.W. Munn, B. Pac and P. Petelenz Threshold photoelectron spectroscopy of SF6 , A.J. Yencha, D.B. Thompson, A.J. Cormack, D.R. Cooper, M. Zubek, P. Bolognesi and G.c. King A photoabsorption, photodissociation and photoelectron spectroscopy study of C 2 H 4 and C 2 D4 , D.M.P. Holland, D.A. Shaw, M.A. Hayes, L.G. Shpinkova, E.E. Rennie, L. Karlsson, P. Baltzer and B. Wannberg The He(I), threshold photoelectron and constant ion state spectroscopy of vinylchloride (C 2 H 3CI), R. Locht, B. Leyh, K. HoHmann and H. Baumgartel Extended Fenske-Hall LCAO MO calculations of core-level shifts in solid P compounds, R. Franke, T. Chasse, 1. Reinhold, P. Streubel and R. Szargan X-ray spectroscopy Experimental and theoretical study of the C 1s shakeup spectra from biphenyl and pterphenyl, C. Enkvist, S. Lunell and S. Svensson Spectroscopic properties of chlorophylls and their derivatives. Influence of molecular structure on the electronic state, Y. Nonomura, S. Igarashi, N. Yoshioka and H. Inoue Electron impact spectroscopy Orbital momentum profiles and binding energy spectra for the complete valence shell of molecular fluorine, Y. Zheng, C.E. Brion, M.J. Brunger, K. Zhao, A.M. Grisogono, S. Braidwood, E. Weigold, S.J. Chakravorty, E.R. Davidson, A. Sgamellotti and W. von Niessen Rotational relaxation of nitrogen in helium, A.E. Belikov, R.G. Sharafutdinov and A.V. Storozhev The formation and dissociation of the dinitrogen pentoxide dication, C.S.S. O'Connor, N.C. Jones and S.D. Price

57

219 (1997) 265

219 (1997) 333 220 (1997) 79

220 (1997) 337 220 (1997) 355

212 (1996) 457 213 (1996) 439 214 (1997) 341 216 (1997) 227

219 (1997) 91 220 (1997) 217 220 (1997) 299

214 (1997) 123 220 (1997) 155

212 (1996) 269 213 (1996) 319 214 (1997) 131

58

Subject index

10

volume 211-220

Polarization propagator study of electronic excitation in key heterocyclic moleculesl. Pyrrole, A.B. Trofimov and J. Schirmer Imaging of the HOMO electron density in Cr{CO)6' Mo(CO)6 and W(CO)6 by electron momentum spectroscopy: a comparison with Hartree-Fock and DFf calculations, J. Rolke, Y. Zheng, CE. Brion, SJ. Chakravorty, E.R. Davidson and I.E. McCarthy Photoabsorption and photoionization of the valence and inner (p 2p, 2s) shells of PF3 : absolute oscillator strengths and dipole-induced breakdown pathways, 1.W. Au, G. Cooper and CE. Brion Absolute oscillator strengths for the valence-shell photoabsorption (2-200 eV) and the molecular and dissociative photoionization (I 1-80 eV) of nitrogen dioxide, J.W. Au and CE. Brion Absolute photoabsorption and photoionization studies of methyl bromide using dipole electron impact and synchrotron radiation PES technique, TN. Olney, G. Cooper, W.F. Chan, G.R. Burton, CE. Brion and K.H. Tan VUV optical-absorption and electron-energy-Ioss spectroscopy of formamide, J.M. Gingell, N.J. Mason, H. Zhao, I.C Walker and M.R.F Siggel

Laser methods Relaxation and trapping of excitons in J-aggregates of a thiacarbocynine dye, M.A. Drobizhev, M.N. Sapozhnikov, I.G. Scheblykin, O.P. Vamavsky, M. Van der Auweraer and AG. Vitukhnovsky Dynamics of geminate charge separation in liquid methylcyclohexane studied by the photoassisted ion pair separation technique, FF Brazgun, V.A. Nadtochenko, LV. Rubtsov and L.V. Lukin Comment on "energy partitioning in photodissociation of methyl, ethyl, and n-propyl iodides at 304 nm", S.W. North, T.J. Sears, G.E. Hall and T Suzuki Optically pumped laser emission in K z involving rovibrational levels near the B Illu state dissociation limit, B.K. Clark. J.M. Standard, Z.J. Smolinski, D.P. Ripp and l.R. Fleming IR induced isomerisation of HOO complexes: a method for the observation of FIR spectra of matrix isolated water complexes, A Engdahl and B. Nelander Reported blue upconversion from U 4 + doped into Cs zZrCI 6 single crystals under green laser excitation, P.A Tanner, J. Dexpert-Ghys, Z.W. Pei and 1. Lin The van der Waals vibrational frequencies of the aniline-carbon monoxide complex in its SI state, J.-G. Jackel, R. Schmid, H. lones, T Nakanaga and H. Takeo Analysis of the D'2 g -A'2 u transition in the molecular iodine by laser-induced-fluorescencc Fourier-transform spectrometry, D. Cerny, R. Bacis, S. Churassy, D. Inard, M. Lamrini and M. Nota Nonequilibrium distributions of rotational and vibrational energies in a free-jet expansion, H. Hulsman A theory of coherent control of reaction dynamics based on the optimization of a linear time-invariant system with complex variables, Y. Watanabe, H. Umeda, Y. Ohtsuki. H. Kono and Y. Fujimura A simulation of ultrafast state-selective IR-Iaser-controlled isomerization of hydrogen cyanide based on global 3D ab initio potential and dipole surfaces, W. lakubetz and B.L. Lan Learning control of quantum-mechanical systems by laboratory identification of effective input-output maps, M.Q. Phan and H. Rabitz

214 (1997) 153

215 (1997) 191

215 (1997) 397

218 (1997) 109

218 (1997) 127 220 (1997) 191

211 (1996)455

211 (1996) 469 211 (1996) 515

213 (I996) 229 213 (1996) 333 215 (1997) 125 215 (1997) 291

216 ( 1997) 207 217 (1997) 107

217 (1997) 317

217 (1997) 375 217 (1997) 389

Subject index to volume 211-220

Direct calculation of electronic Raman scattering intensity for Ce H in CS z NaCeCI 6 , M. Chua and P.A. Tanner Photoionization/dissociation of alkyl substituted benzene molecules using intense near-infrared radiation, M.J. DeWitt, D.W. Peters and R.J. Levis Intermolecular vibrations of the van der Waals complex p-C 6 H 4 FCH 3 . . . Ar, Y. Hu, W. Lu and S. Yang Infrared photoisomerization of the methanol dimer trapped in argon matrix: monochromatic irradiation experiments and DFf calculations, S. Coussan, Y. Bouteiller, A. Loutellier, J.P. Perchard, S. Racine, A. Peremans, W.Q. Zheng and A. Tadjeddine

Picosecond spectroscopy The theory of Forster-type migration between clusters of strongly interacting molecules: application to light-harvesting complexes of purple bacteria, V.I. Novoderezhkin and A.P. Razjivin Higher excited-state triplet-singlet intersystem crossing of some organic dyes, S. Reindl and A. Penzkofer Subpicosecond studies of the solvation dynamics of fluoroprobe in liquid solution, E.R. Middelhoek, H. Zhang, lW. Verhoeven and M. Glasbeek Vibrational spectrum of the K-590 intermediate in the bacteriorhodopsin photocycle at room temperature: picosecond time-resolved resonance coherent anti-Raman spectroscopy, L. Ujj, F. Jager, A. Popp and G.H. Atkinson Triplet quantum yield determination by picosecond laser double-pulse fluorescence excitation, S. Reindl and A. Penzkofer Photophysics of 4-dimethylamino 4'-cyanostilbene and model compounds: dual excited states revealed by sub-picosecond transient absorption and Kerr ellipsometry, E. Abraham, J. Oberle, G. Jonusauskas, R. Lapouyade and C. Rulliece Two-photon absorption in non-centrosymmetric dyes, S. Delysse, P. Raimond and J.-M. Nunzi Non-linear optical spectroscopy Higher excited-state triplet-singlet intersystem crossing of some organic dyes, S. Reindl and A. Penzkofer Dissociation constants of some substituted cinnamic acids in protic solvents: measurements by hyper-Rayleigh scattering and potentiometric techniques, P.c. Ray, N. Munichandraiah and P.K. Das Triplet quantum yield determination by picosecond laser double-pulse fluorescence excitation, S. Reindl and A. Penzkofer Photophysics of 4-dimethylamino 4'-cyanostilbene and model compounds: dual excited states revealed by sub-picosecond transient absorption and Kerr ellipsometry, E. Abraham, J. Oberle, G. Jonusauskas, R. Lapouyade and C. Rulliece Femtosecond dynamics of excited states in sexithiophene thin films, G. Klein, C. Jundt, B. Sipp, A.A. Villaeys, A. Boeglin, A. Yassar, G. Horowitz and F. Gamier Nuclear relaxation and vibrational contributions to the static electrical properties of polyatomic molecules: beyond the Hartree-Fock approximation, J.M. Luis, J. MartI, M. Duran and J.L. Andres Two-photon absorption in non-centrosymmetric dyes, S. Delysse, P. Raimond and J.-M. Nunzi

59

218 (1997) 83 218 (1997) 211 218 (1997) 325

219 (1997) 221

211 (1996) 203 211 (1996) 431 211 (1996) 489

212 (1996) 421 213 (1996) 429

214 (1997) 409 219 (1997) 341

211(1996)431

211 (1996) 499 213 (1996) 429

214 (1997) 409 215 (1997) 131

217 (1997) 29 219 (1997) 341

60

Subject index to volume 211-220

Synchrotron spectroscopies Intracluster ion-molecule reactions induced by the synchrotron radiation in allyl bromideammonia clusters, e. Dedonder-Lardeux, e. Jouvet, S. Martrenchard-Barra, D. Solgadi, F. Talbot, M. Vervloet, I. Dimicoli and M. Richard-Viard High-resolution threshold photoelectron spectroscopy of molecular fluorine, AJ. Cormack, A.J. Yencha, R.J. Donovan, K.P. Lawley, A Hopkirk and G.C. King A quasi-atomic treatment of chemical and structural effects on K-shell excitations in hexagonal and cubic BN crystals, R. Franke, S. Bender, J. Hormes. A.A. Pavlychev and N.G. Fominych Clusters containing BF3. O(CH 3)Z and aromatic compounds: An electron impact and photoionization study, e.G. Eisenhardt, S. Ring, H.-W. Jochims and H. Baumgartel Photodissociation spectroscopy of lCN in the vacuum ultraviolet region, K. Kanda, S. Katsumata, T. Nagata, T. Kondow, A. Hiraya, K. Tabayashi and K. Shobatake A photoabsorption, photodissociation and photoelectron spectroscopy study of C z H 4 and C 2 D4 , D.M.P. Holland, D.A Shaw, M.A Hayes, L.G. Shpinkova, E.E. Rennie, L. Karlsson, P. Baltzer and B. Wannberg Fluorescence excitation spectroscopy of some haloethenes, CF z =CXY (XY == FCI. Cl z • FH), excited in the vacuum ultraviolet (70-180 nm), M. Ahmed, C.J. Apps, M.J. Bramwell, J.L. Cooper, e. Hughes, K. Reinhardt, J.e. Whitehead, F. Winterbottom and A Hopkirk VUV optical-absorption and electron-energy-Ioss spectroscopy of formamide, J.M. Gingell, N.J. Mason, H. Zhao, I.C. Walker and M.R.F. Siggel The photoabsorption spectrum of vinyIchloride (C z H 3CI) in the 8-12 eV range, R Locht, B. Leyh, K. Hottmann and H. Baumgartel The He(I), threshold photoelectron and constant ion state spectroscopy of vinylchloride (C Z H 3 CI), R Locht, B. Leyh, K. Hottmann and H. Baumgartel Coherent optical spectroscopy Optically pumped laser emission in K z involving rovibrationallevels near the B I n u state dissociation limit, B.K. Clark, J.M. Standard, Z.J. Smolinski, D.P. Ripp and J.R Fleming Line broadening in a polymer glass as investigated by stimulated photon echo spectroscopy: spectral diffusion versus heating effects, S.J. Zilker and D. Haarer

212 (1996) 371 213 (1996) 439

216 (1997) 243 216 (1997) 427 218 (1997) 199

219 (1997) 91

219 (1997) 333 220 (1997) 191 220 (1997) 207 220 (1997) 217

213 (1996) 229 220 (1997) 167

Optical pumping Photoacoustic spectra of BaFBr:Eu 2 + phosphors, Y. Zhang

219 (1997) 353

Multiple resonance spectroscopy Infrared spectroscopy of aniline-X (X = N z , CH 4 , CHF3, CO) clusters and their corresponding cluster cations in the NHz-stretching vibration region, RP. Schmid. P.K. Chowdhury, J. Miyawaki, F. Ito, K. Sugawara, T. Nakanaga, H. Takeo and H. Jones

218 (1997) 291

Optoacoustic spectroscopy Multiple absorption and relaxation processes in SF6 -CH 4 mixtures: an experimental study, J. Jovanovic-Kurepa, D.O. Markusev and M. Terzic Spectroscopic investigation of ground state pyrrole CZ C 4 HsN): the N-H stretch, A Mellouki, R. Georges, M. Herman, D.L. Snavely and S. Leytner

211 (1996) 347 220 (1997) 311

Subject index to volume 211-220

Atomic and molecular beam techniques Intracluster ion-molecule reactions induced by the synchrotron radiation in allyl bromideammonia clusters, e. Dedonder-Lardeux, e. Jouvet, S. Martrenchard-Barra, D. Solgadi, F. Talbot, M. Vervloet, I. Dimicoli and M. Richard-Viard Single electron capture in low-energy Kr+ -He collisions, H. MartInez and J.M. Hernandez Fine-structure dependence of the Ar*(3PO. 2 ) + N 2 (X) excitation transfer process, E.JD. Vredenbregt, W.J.M. Rooyakkers, R.J.F van Gerwen, P.J. van de Hurk and H.e.W. Beijerinck Ar * (3P) jKr * (3PO•2 ) + NlX) excitation transfer collisions: final state rotational alignment, E.J.D. Vredenbregt, W.J.M. Rooyakkers, M.J.M. Vugts, P.J. van de Hurk and H.C.w. Beijerinck The phosphorescence excitation spectrum of jet-cooled 4-H-I-benzopyrane-4-thione, A.A. Ruth, F.J. O'Keeffe, R.P. Brint and M.W.D. Mansfield Nonequilibrium distributions of rotational and vibrational energies in a free-jet expansion, H. Hulsman Construction of a molecular beam Fourier transform microwave spectrometer used to study the 2,5-dihydrofuran-argon van der Waals complex, J.L. Alonso, FJ. Lorenzo, J.e. Lopez, A. Lesarri, S. Mata and H. Dreizler Intermolecular vibrations of the van der Waals complex p-C 6 H 4 FCH 3 ... Ar, Y. Hu, W. Lu and S. Yang Fluorescence excitation spectroscopy of some haloethenes, CF2 =CXY (XY == FCI, C1 2 , FH), excited in the vacuum ultraviolet (70-180 nm), M. Ahmed, C.J. Apps, M.J. Bramwell, J.L. Cooper, C. Hughes, K Reinhardt, J.e. Whitehead, F Winterbottom and A. Hopkirk Reaction dynamics of the CaCD 2 , 3 p j)+CH 3 I --->CaI* +CH 3 system: chemiluminescence, energy disposal and product polarization, J.M. Orea. A. Laplaza, C.A. Rinaldi, G. Tardajos and A. Gonzalez Urena

Time-resolved experiments Experimental and theoretical study of the recombination reaction of FC(O)O radicals, A.E. Croce, C.J. Cobos and E. Castellano Photophysics of 4-dimethylamino-4'-cyanosti Ibene and 4-azetidiny1-4'-cyanostilbene. Time-resolved fluorescence and trans-cis photoisomerisation, Yu.V. I1'ichev, W. Kuhnle and KA. Zachariasse Dynamics of geminate charge separation in liquid methylcyclohexane studied by the photoassisted ion pair separation technique, FF. Brazgun, V.A. Nadtochenko, LV. Rubtsov and L.V. Lukin Subpicosecond studies of the solvation dynamics of fluoroprobe in liquid solution, E.R. Middelhoek, H. Zhang, J.W. Verhoeven and M. Glasbeek The disperse kinetics of intercolumnar charge recombination in pulse-irradiated mesomorphic phthalocyanines, J.M. Warman, P.G. Schouten, G.H. Gelinck and M.P. de Haas Spin-correlated radical pairs in micellar systems: mechanism of CIDEP and the micelle size dependence, V.F Tarasov, H. Yashiro, K Maeda, T. Azumi and LA. Shkrob Vibrational spectrum of the K-590 intermediate in the bacteriorhodopsin photocycle at room temperature: picosecond time-resolved resonance coherent anti-Raman spectroscopy, L. Ujj, F Jager, A. Popp and G.H. Atkinson

61

212 (1996) 371 215 (1997) 285

216 (1997) 259

216 (1997) 273 217 (1997) 83 217 (1997) 107

218 (1997) 267 218 (1997) 325

219 (1997) 333

220 (1997) 337

211 (1996) 215

211 (1996) 441

211 (1996) 469 211 (1996) 489 212 (1996) 183 212 (1996) 353

212 (1996) 421

62

Subject index to volume 21 1-220

Time-resolved electroluminescence from single and bilayer LEDs based upon substituted poly-arylenevinylenes, Y.-H. Tal<, H. Vestweber, H. Bassler, A Bleyer, R. Stockmann and H.-H. Horhold Modeling of optical pumping experiments in co. I. Time-resolved experiments, P.l. Porshnev, H.L. Wallaart, M.-Y. Perrin and J.-P. Martin Positronium dynamics in aqueous solutions of ionic surfactants, G. Consolati and F. Quasso Influence of the molecular environment on the hyperfine interaction of II I Cd ions in gaseous radioactive indium halides, C. Ruth, M. Griindel, I. Eschrich, L. Ziegeler and I. Borchen Dispersive transport of triplet excitation of benzaldehyde in solid ethanol solution, S.A. Bagnich The use of threshold photoelectron - fluorescence photon coincidence spectroscopy for the measurement of the radiative lifetimes of emitting states of CF3 X+ (X = F, H, CI, Br) ions, H. Biehl, KJ. Boyle, D.M. Smith and R.P. Tuckett Photophysics of 4-dimethylamino 4'-cyanostilbene and model compounds: dual excited states revealed by sub-picosecond transient absorption and Kerr ellipsometry, E. Abraham, J. Oberle, G. Jonusauskas, R. Lapouyade and C. Rulliere Calculation of triplet-singlet transition efficiencies controlled by relative rotational diffusion of the two constituents of covalently linked radical pairs, K.M. Sahkho\'. J. Schliipmann, M. Plato and K. Mobius Peculiarities of the enthalpy relaxation of a glassy crystal, O. Delcourt, M. Descamps, J. Even, M. Benault and J.F. Willan Evaluation of luminescence decay measurements probed on pure and doped PtOV) hexahalogeno complexes I. Exponential rise time and decay curves applying various statistical tests, I. Bierttimpel and H.-H. Schmidtke A study of the hydration of aluminate minerals based on the measurements of the mean and the variance of the proton magnetic resonance relaxation rate, AB. Kudryavtsev, T.V. Kouznetsova, W. Linen and G. Hunter Phonon termoactivated exciton tunneling in crystals of weak charge transfer complexes N-TCPA doped with Nd8-TCPA, V.V. Eremenko, V.A. Karachevtsev and V.V. Slavin Time resolved spectroscopy of nonlinear solvation with pulses longer than electronic dephasing, B.D. Fainberg and B. Zolotov Ion pairing of bisdimethylamino pentamethinecyanine perchlorate and its consequences on the cis-trans photoisomerization dynamics, G. Ponterini On the determination of Dg(CaBr) from translational energy threshold measurements, M. Garay Salazar, J.M. area and A Gonzalez Urena The deactivation of singlet excited all-trans-I ,6-diphenylhexa-l ,3,5-triene by charge transfer processes. 2. Formation and dynamics of charge transfer (CT) intermediates, F. Schael, J. Kuster and H.-G. Lohmannsroben Hole transport in vapor deposited enamines and enamine doped polymers, J.A. Sinicropi, J.R. Cowdery-Corvan, E.H. Magin and P.M. Borsenberger Picosecond time-resolved dual fluorescence, transient absorption and reorientation time measurements of push-pull diphenyl-polyenes: evidence for 'loose' complex and 'bicimer' species, E. Abraham, J. Oberle, G. Jonusauskas, R. Lapouyade, K. Minoshima and C. Rulliere Non-exponential decays of the S 1 vibronic levels of acetaldehyde, S.-H. Lee and I.-c. Chen Effects of CCI 4 on positronium formation in pure isooctane and in AOT/water/isooctane microemulsions, M.F. Ferreira Marques, H.D. Burrows, M. da Gra~a Miguel, A.P. de Lima, C. Lopes Gil and G. Duplatre

212 (1996) 471 213 (1996) 111 213 (l996) 449

213 (I 996) 454 214 (1997) 351

214 (1997) 357

214 (1997) 409

215 (1997) 23 215 (1997) 51

215 (1997) 271

215 (1997) 419 216 (1997) 216 (1997)

7

216 (1997) 193 216 (1997) 365

218 (1997) 175 218 (1997) 331

219 (1997) 73 220 (1997) 175

220 ( 1997) 233

Subject index to volume 211-220

Ionization and fragmentation of OCS and CS 2 after photoexcitation around the sulfur 2p edge, U. Ankerhold, B. Esser and F. von Busch

Mass spectrometry Translational spectroscopy of H- produced by collision induced dissociation of H; on He, H. Martinez and A. Amaya-Tapia Comment on "energy partitioning in photodissociation of methyl, ethyl, and n-propyl iodides at 304 nm", S.W. North, TJ. Sears, G.E. Hall and T. Suzuki Intracluster ion-molecule reactions induced by the synchrotron radiation in allyl bromideammonia clusters, e. Dedonder-Lardeux, e. Jouvet, S. Martrenchard-Barra, D. Solgadi, F. Talbot, M. Vervloet, I. Dimicoli and M. Richard-Viard The formation and dissociation of the dinitrogen pentoxide dication, e.S.S. O'Connor, N.e. Jones and S.D. Price Clusters containing BF3 , O(CH 3 )2 and aromatic compounds: An electron impact and photoionization study, e.G. Eisenhardt, S. Ring, H.-W. Jochims and H. Baumgartel Quantitative studies of the photoabsorption and photoionization of PCl 3 in the valence and inner (P 2p,2s; Cl 2p,2s) shell regions, J.W. Au and e.E. Brion Intermolecular vibrations of the van der Waals complex p-C 6H 4 FCH 3 ... Ar, Y. Hu, W. Lu and S. Yang Nonradiative processes and infrared emission in matrix isolated ND, N. Caspary, B.E. Wurfel, AM. Smith and V.E. Bondybey Radiolysis Time evolution of the rate constant for the tunneling reaction H 2 + D ~ H + HD in solid D 2-H 2 mixtures at very low temperature, T Kumada, Y. Aratono and T Miyazaki Mossbauer spectroscopy Dielectric relaxation models applied to the dynamics of myoglobin as determined by Mossbauer spectroscopy, I. Chang, H. Hartmann, Yu. Krupyanskii, A. Zharikov and F. Parak A double origin proposed for the various Mossbauer spectra of biferrocenium salts: charge ordering and molecular bistability, F. Varret, J. Linares and K. Boukheddaden X-ray, electron and neutron dijfraction Orientational correlations in liquid carbon tetrabromide: a neutron diffraction and RMC study, I. Bak6, J.e. Dore and D.W. Huxley Crystal structure and photoluminescence of single crystals of fullerene-9,9' -trans-bis(telluraxanthenyl) molecular complex: C26HlSTe2 . C 60 . CS 2, V.V. Kveder, E.A Steinman, B.Zh. Narymbetov, S.S. Khasanov, L.P. Rozenberg, R.P. Shibaeva, AV. Bazhenov, AV. Gorbunov, M.Yu. Maksimuk, D.V. Konarev, R.N. Lyubovskaya and Yu.A. Ossipyan Neutron scattering Tunnelling of the one-dimensional rotor NH 3 D+ in the NH 4 CI04 and NH 4 PF6 lattices, H.G. Blittner, G.J. Kearley and B. Frick The origin and temperature dependence of the single particle, methyl-group rotational potential in acetic acid, M.R. Johnson, M. Neumann, B. Nicolai, P. Smith and GJ. Kearley

63

220 (1997) 393

211 (1996) 299 211 (1996) 515

212 (1996) 371 214 (1997) 131 216 (1997) 427 218 (1997) 87 218 (1997) 325 220 (1997) 241

212 (1996) 177

212 (1996) 221 212 (1996) 487

216 (1997) 119

216 (1997) 407

214 (1997) 425

215 (1997) 343

64

Subject index to volume 211-220

Inelastic neutron scattering studies of polyanilines and partially deuterated analogues, F Fillaux, N. Leygue, R. Baddour-Hadjean, S. Parker, P. Colomban, A. Gruger, A. Regis and L.T. Yu Symmetrised quantum-mechanical force-fields and INS spectra: s-triazine, trichloro-s-triazine and pyrazine, GJ. Kearley, 1. Tomkinson, A. Navarro, J.J. Lopez Gonzalez and M. Fernandez Gomez

216 (1997) 281

216 (1997) 323

Light scattering Analysis of polarization effects in time-dependent Rayleigh light scattering by optically active molecules, K. Knast Degree of aggregation of indocyanine green in aqueous solutions determined by Mie scattering, R. Weigand, F Rotermund and A. Penzkofer

220 (1997) 373

Field emission and field ionization Photoionizationjdissociation of alkyl substituted benzene molecules using intense near-infrared radiation, MJ. DeWitt, D.W. Peters and RJ. Levis

218 (J997) 211

Measurement of macroscopic variables Solvent effects on sol-gel transition of alginate solutions by addition of cupric ions, H. Zheng, K. Jiang, Q. Zhang and J. Wang Peculiarities of the diffusion of silver and sodium ions in phosphate glasses with a high content of Na 2 0, V.M. Syutkin and V.A. Tolkatchev Electric permittivity in the one- and two-phase region of I-nitropropane-hexadecane near-critical solution, M. Paluch, P. Habdas, SJ. Rzoska and T. Schimpel Positron annihilation in and compressibility of liquid water + tert-butyl alcohol mixtures, A. Baranowski, K. Jerie and 1. Glinski Charge transfer dynamics of electrochemical dark and photoprocesses on semiconductors. Part I: Manifold of stationarity conditions of hydrogen reaction emerging from dark to photoregimes of n-materials, and dark admittance evaluation, W. Lorenz, M. Handschuh and F. Bergmann Charge transfer dynamics of electrochemical dark and photoprocesses on semiconductors. Part II: Fermi energy characteristics and photoadmittance functions, F Bergmann, M. Handschuh and W. Lorenz

21 3 (J 996) 465

211 (1996) 507 212 (1996) 149 213 (1996) 483 214 (1997) 143

215 (J997) 139

215 (1997) 157

Objects Bulk systems

Gases Transport coefficients for NO+ ions in helium gas: a test of the NO+ -He interaction potential, L.A. Viehland, A.S. Dickinson and R.G.A.R. Maclagan Correlated electronic potential-energy surfaces for proton interactions with N2 , FA. Gianturco, S. Kumar and F. Schneider Optical potential discrete variable representation method applied to the three-dimensional calculations of NeICI predissociation resonances, M. Monnerville and J.-M. Robbe An investigation of the photodissociation of molecular oxygen in the 75 to 85 nm region, A.L. Jones, AJ. Blake, L. Torop and D.G. McCoy

211 (J996) 211 (1996) 33 211 (1996) 249 211 (J996) 291

Subject index to volume 2 f f -220

65

Dynamics of the vibrational mode-specific proton transfer reaction NHj(v j )+NH 3 -> NH 2 + NH~: ab initio MO and classical trajectory studies, H. Tachikawa Multiple absorption and relaxation processes in SF6 -CH 4 mixtures: an experimental study, J. Jovanovic-Kurepa, D.D. Markusev and M. Terzic Absorption cross section measurements of water vapor in the wavelength region 120 to 188 nm, K. Yoshino, J.R. Esmond, W.H. Parkinson, K. Ito and T. Matsui Fast-ion beam laser spectroscopy of 14 N; and 15 N;: high-resolution study of the (1, 2) band of the B 2~: -X 2~: system, K. Boudjarane, A. Alikacem and M. Larzilliere Orbital momentum profiles and binding energy spectra for the complete valence shell of molecular fluorine, Y. Zheng, C.E. Brion, M.J. Brunger, K. Zhao, A.M. Grisogono, S. Braidwood, E. Weigold, S.J. Chakravony, E.R. Davidson, A. Sgamellotti and W. von Niessen Vibrational structure of the BrCN+ ion from high resolution photoelectron spectroscopy, J.H.D. Eland, P. Baltzer, M. Lundqvist, B. Wannberg and L. Karlsson Modeling of optical pumping experiments in CO. I. Time-resolved experiments, P.I. Porshnev, H.L. Wallaart, M.-Y. Perrin and J.-P. Martin A new method of calculating exponential operators for scattering problems, A.V. Storozhev Interatomic potentials for XO+ and B 3 1 states of intercombination cadmium line 326.1 nm broadened by Ar pressure, G.D. Roston, M.S. Helmi and T. Grycuk The photochemical reaction of excited acetophenone and benzaldehyde in the gas phase, Y. Matsushita, Y. Yamaguchi and T. Hikida On the calculation of hydrogen NMR chemical shielding, D.B. Chesnut A M~lIer-Plesset penurbation theory and coupled-cluster study of the reaction enthalpies and barrier heights for the FCO + H 2 -> HFCO + H abstraction reaction, J.S. Francisco The use of threshold photoelectron - fluorescence photon coincidence spectroscopy for the measurement of the radiative lifetimes of emitting states of CF3 X+ (X = F, H, CI, Br) ions, H. Biehl, K.J. Boyle, D.M. Smith and R.P. Tuckett Vacuum-UV fluorescence spectroscopy of CF3 X (X = F.H.CI,Bd in the range 10-30 eV, H. Biehl, K.J. Boyle, R.P. Tuckett, H. Baumgartel and H.W. Jochims Drift velocity of ions in lighter gases in electric and magnetic fields, L. Ferrari and A. Carbognani Ultraviolet absorption and cross sections of propargyl (C 3 H) radicals in the 230-300 nm region, A. Fahr, P. Hassanzadeh, B. Laszlo and R.E. Huie Interaction forces and energy transfer dynamics of LiH (1 ~ +) and helium atoms. I. The ab initio evaluation of the lowest potential energy surface, F.A. Gianturco, S. Kumar, S.K. Pathak, M. Raimondi, M. Sironi, J. Gerratt and D.L. Cooper Interaction forces and energy transfer dynamics of LiHC ~ +) and helium atoms. II. Rotationally inelastic collisions and excitation efficiency, F.A. Gianturco, S. Kumar, S.K. Pathak, M. Raimondi and M. Sironi Cotton-Mouton effect and shielding polarizabilities of ethylene: an MCSCF study. S. Coriani, A. Rizzo, K. Ruud and T. Helgaker Analysis of the D'2 g -A'2 u transition in the molecular iodine by laser-induced-fluorescence Fourier-transform spectrometry, D. Cerny, R. Bacis, S. Churassy, D. Inard, M. Lamrini and M. Nota Effect of strong excitation of the CO 2 asymmetric mode on transport properties, A. Chikhaoui and E. V. Kustova Isotope effects on the rate constants for the processes 02 + -> + O 2 and 02 + + Ar -> 0 3 + Ar. On a modified ground-state potential energy surface for ozone, A. Gross and G.D. Billing

° °

°

211 (1996) 305 211 (1996) 347 211 (1996) 387 211 (1996) 393

212 (1996) 269 212 (1996) 457 213(1996) III 213 (1996) 313 213 (1996) 365 213 (1996) 413 214 (1997) 73 214 (1997) 213

214 (1997) 357 214 (1997) 367 215 (1997) 37 215 (1997) 59

215 (1997) 227

215 (1997) 239 216 (1997) 53

216 (J 997) 207 216 (1997) 297

217 (1997)

66

Subject index to volume 211-220

Nonequilibrium distributions of rotational and vibrational energies in a free-jet expansion, H. Hulsman VUV optical-absorption and electron-energy-Ioss spectroscopy of formamide, J.M. Gingell, N.J. Mason, H. Zhao, I.e. Walker and M.R.F Siggel The photoabsorption spectrum of vinylchloride (C 2 H 3 CI) in the 8-12 eV range, R. Locht, B. Leyh, K Hottmann and H. Baumgartel The He(I), threshold photoelectron and constant ion state spectroscopy of vinylchloride (C 2 H 3 CI), R. Locht, B. Leyh, K Hottmann and H. Baumgartel Supersonic beams Ab initio calculations of the rovibrational states of He 2 N 2 +, J.M. Hughes and E. I. von Nagy-Felsobuki Potential energy curve of the XO +( I L +) ground state of HgAr determined from AO + (3 II) ~ xo + and B Ie L +) ~ XO + fluorescence spectra, J. Koperski Development and interconnections of the temperatures in the translational, rotational and vibrational degrees of freedom in a potassium monomer/dimer beam, A Obrebski, T. Kaps and U. Cerny The van der Waals vibrational frequencies of the aniline-carbon monoxide complex in its SI state, 1.-G. Jackel, R. Schmid, H. Jones, T. Nakanaga and H. Takeo The phosphorescence excitation spectrum of jet-cooled 4-H-I-benzopyrane-4-thione, AA Ruth, F.J. O'Keeffe, R.P. Brint and M.W.D. Mansfield A full quantum study of the vibrational predissociation mechanisms in Ar; cluster, E. Buonomo, FA Gianturco, M. Pilar de Lara, S. Miret-Artes, G. Delgado-Barrio and P. Villarreal Non-exponential decays of the SI vibronic levels of acetaldehyde, S.-H. Lee and I.-e. Chen Spectroscopic investigation of ground state pyrrole C2 C 4 H s N): the N-H stretch, A. Mellouki, R. Georges, M. Herman, D.L. Snavely and S. Leytner Liquids neat Photophysics of 4-dimethylamino-4'-cyanostilbene and 4-azetidinyl-4'-cyanostilbene. Time-resolved fluorescence and trans-cis photoisomerisation, Yu.V. Il'ichev, W. KUhnle and K.A Zachariasse An analytical study of the Berezhkovskii-Pollak-Zitserman theory of rate processes in the critical region. II. The critical coupling plane, S. Singh and G.W. Robinson A method to calculate the probability distribution for systems with large energy barriers, O. Engkvist and G. Karlstrom Analysis of polarization effects in time-dependent Rayleigh light scattering by optically active molecules, K Knast Orientational correlations in liquid carbon tetrabromide: a neutron diffraction and RMC study, I. Bak6, J.e. Dore and D.W. Huxley Thermodynamic shift from three- to two-dimensional systems, F Cuadros, A Mulero and W. Okrasinski Liquid mixtures and solutions Solvent reorganization energy of electron transfer in weakly polar solvents, D.V. Matyushov A QM/MM simulation method applied to the solution of Li + in liquid ammonia, T. Kerdcharoen, KR. Liedl and B.M. Rode

217 (1997) 107 220 (1997) 191 220 (1997) 207 220 (1997) 217

211 (1996) 135 211 (1996) 191

212 (1996) 311 215 (1997) 291 217 (1997) 83

218 (1997) 71 220 (1997) 175 220 (1997) 311

211(1996)441 212 (1996) 125 213 (1996) 63 213 (1996) 465 216 (1997) 119 218 (1997) 235

211 (1996) 47 211 (1996) 313

Subject index to volume 21 J -220

Subpicosecond studies of the solvation dynamics of fluoroprobe in liquid solution, E.R Middelhoek, H. Zhang, J.W. Verhoeven and M. Glasbeek Dissociation constants of some substituted cinnamic acids in protic solvents: measurements by hyper-Rayleigh scattering and potentiometric techniques, P.c. Ray, N. Munichandraiah and P.K Das Condition for fractional-power viscosity dependence of the average rate constant of solution reactions influenced by slow solvent fluctuations, H. Sumi Recovering boundaries for partly diffusion-controlled reaction kinetics, NJ.B. Green, RD. Spencer-Smith and AG. Rickerby An analytical study of the Berezhkovskii-Pollak-Zitserman theory of rate processes in the critical region. II. The critical coupling plane, S. Singh and G.W. Robinson Temperature dependence of the density of an ionic micellar system near the critical point, A Compostizo, C. Martin, RG. Rubio and A Crespo Colin Spin-correlated radical pairs in micellar systems: mechanism of CIDEP and the micelle size dependence, V.F. Tarasov, H. Yashiro, K Maeda, T. Azumi and LA. Shkrob A method to calculate the probability distribution for systems with large energy barriers, O. Engkvist and G. Karlstrom Preferential solvation study: Solvation of sodium chloride in water-hydroxylamine mixtures, S. Vizoso and B.M. Rode Effect of ethanol addition upon the structure and the cooperativity of the water H bond network, R. Lamanna and S. Cannistraro Conformational studies of cyclopropylcarbonyl fluoride from temperature dependent FT-IR spectra of xenon solutions, J.R Durig, S. Shen, W. Zhao and L. Zhou Conformational studies of propenoyl chloride in liquid xenon from temperature dependent FT-IR spectra, J.R. Durig, Y. Li and Y. Jin Molecular dynamics study of infinitely dilute aqueous solutions of small biological molecules. Calculation of the static and dynamic properties of formaldehyde, S. Tolosa and J.A Sanson Vibrational dephasing in bromocyclohexane: how to separate contributions from different mechanisms, M. Kolodziejski, G. Waliszewska and H. Abramczyk Positronium dynamics in aqueous solutions of ionic surfactants, G. Consolati and F. Quasso Electric permittivity in the one- and two-phase region of I-nitropropane-hexadecane near-critical solution, M. Paluch, P. Habdas, SJ. Rzoska and T. Schimpel Positron annihilation in and compressibility of liquid water + tert-butyl alcohol mixtures, A. Baranowski, K Jerie and J. Glinski On the degrees of circularity for various kinds of polarized light in a nonpolar liquid mixture, DJ. Lee and K-R. Kim Factors affecting adiabaticity in bimolecular photoinduced electron transfer reaction between anthracene derivatives and organic donors, X. Allonas and P. Jacques Time resolved spectroscopy of nonlinear solvation with pulses longer than electronic dephasing, B.D. Fainberg and B. Zolotov Ion pairing of bisdimethylamino pentamethinecyanine perchlorate and its consequences on the cis-trans photoisomerization dynamics, G. Ponterini Increase and saturation of the third order hyperpolarizabilities in homologous series of symmetric cyanines, W. Wemcke, M. Pfeiffer, T. Johr, A. Lau, W. Grahn, H.-H. Johannes and L. Diihne Water structuring around complex solutes: theoretical modeling of a-D-glucopyranose, B. Leroux, H. Bizot, J.W. Brady and V. Tran

67

211 (1996) 489

211 (1996)499 212 (1996)

9

212 (1996) 99 212 (1996) 125 212 (1996) 301 212 (1996) 353 213 (1996) 63 213 (1996) 77 213 (1996) 95 213 (1996) 165 213 (1996) 181

213 (1996) 203 213 (1996) 341 213 (1996) 449 213 (1996) 483 214 (1997) 143 214 (1997) 183 215 (1997) 371 216 (1997)

7

216 (1997) 193

216 (1997) 337 216 (1997) 349

68

SubjecT index 10 volume 211-220

Fast interactions between Rh6G and dGTP in water studied by fluorescence correlation spectroscopy, J. Widengren, J. Dapprich and R. Rigler Vibronic and vibrational coherence and relaxation dynamics of molecules in condensed phases, M. Hayashi, T.-S. Yang, A. Mebel, C.H. Chang, S.H. Lin and N.F. Scherer Molecular dynamics simulation of NaCl solutions in methanol-water mixtures. Intramolecular vibrations of the solvent components, E. Hawlicka and D. Swiatla-Wojcik Intermolecular potential for phenol based on the test particle model, K. Sagarik and P. Asawakun Statistical mechanical treatment of reactive solvent extraction, M. Lukhezo, L.J. Dunne, B.G. Reuben and M.S. Verrall Effects of CCI 4 on positronium formation in pure isooctane and in AOT/water/isooctane microemulsions, M.F. Ferreira Marques, H.D. Burrows, M. da Grac;a Miguel, AP. de Lima, C. Lopes Gil and G. Duplatre Structure and dynamics at the surface of a concentrated aqueous solution of CsF, J. Dietter and H. Morgner Forward and reverse excitation energy transport in concentrated two-component systems, P. Bojarski and L. Kulak

Crystals AI,Si ordering in chabazites: A Monte Carlo study, M.C. Gordillo and c.P. Herrero Stochastic wave packet vs. direct density matrix solution of Liouville-von Neumann equations for photodesorption problems, P. Saalfrank An ab initio perturbed ion study of structural properties of Ti0 2, Sn0 2 and Ge0 2 rutile lattices, AC. Camargo, J.A Igualada, A Beltran, R. Llusar, E. Longo and J. Andres A double origin proposed for the various Mossbauer spectra of biferrocenium salts: charge ordering and molecular bistability, F. Varret, J. Linares and K. Boukheddaden Optical spectroscopy, fluorescence dynamics and crystal-field analysis of Er 3 + in YV04 , J.A. Capobianco, P. Kabro, F.S. Ermeneux, R. Moncorge. M. Bettinelli and E. Cavalli Peculiarities of the enthalpy relaxation of a glassy crystal. 0. Delcourt, M. Descamps, J. Even, M. Bertault and J.F. Willart Rotation/precession of NH 3 groups in Hofmann clathrates, M. Neumann and G.J. Kearley Charge-transfer excitons in the dielectric theory of molecular crystals, RW. Munn The origin and temperature dependence of the single particle, methyl-group rotational potential in acetic acid, M.R. Johnson, M. Neumann, B. Nicolai, P. Smith and G.J. Kearley A quasi-atomic treatment of chemical and structural effects on K-shell excitations in hexagonal and cubic BN crystals, R Franke, S. Bender, J. Hormes, A.A Pavlychev and N.G. Fominych Crystal structure and photoluminescence of single crystals of fullerene-9,9'-trans-bis{telluraxanthenyI) molecular complex: C26H1STe2' C 60 . CS 2, V.V. Kveder, E.A. Steinman, B.Zh. Narymbetov, S.S. Khasanov, L.P. Rozenberg, RP. Shibaeva, AV. Bazhenov, A.V. Gorbunov, M.Yu. Maksimuk, D.V. Konarev, RN. Lyubovskaya and Yu.A. Ossipyan Extended Fenske-Hall LCAO MO calculations of core-level shifts in solid P compounds, R. Franke, T. Chasse, J. Reinhold, P. Streubel and R. Szargan

216 (1997) 41 7 217 (1997) 259 218 (1997) 49 219 (1997) 173 220 (1997) 53

220 (1997) 233 220 (1997) 261 220 (1997) 323

211 (1996) 81 211 (1996) 265 212 (1996) 381 212 (1996) 487 214 (1997) 329 215 (1997) 51 215 (1997) 253 215 (1997) 301

215 (1997) 343

216 (1997) 243

216 (I997) 407 220 ( 1997) 299

69

Subject index to volume 21 J- 220

-neat Reversible conformation change of free radicals in X-irradiated glutarimide single crystals studied by ENDOR, N.A. Salih, OJ. Eid, N.P. Benetis, M. Lindgren, A. Lund and E. Sagstuen Exciton scattering, k selection rule, exciton bandwidth in pyrene microcrystallites, and lattice relaxation energy for the origin of V luminescence, Y. Oeda, 0. Nishi, Y. Matsushima, K. Mizuno, AH. Matsui, M. Michinomae, M. Takeshima and T. Goto Charge-transfer states and the band gap in crystalline fullerene, A Eilmes, RW. Munn, B. Pac and P. Petelenz Vibron-mediated electronic relaxation in crystalline chlorine, D. Logan, CA. Wight and V.A. Apkarian Nature of the magnetic interaction of Wurster's radicals in the solid state, F. Dietz, N. Tyutyulkov, C Christen and K. Luders -mixed Single molecule polarization spectroscopy: pentacene in p-terphenyl, F. Guttler, M. Croci, A Renn and U.P. Wild Dielectric relaxation models applied to the dynamics of myoglobin as determined by Mossbauer spectroscopy, I. Chang, H. Hartmann, Yu. Krupyanskii, A Zharikov and F. Parak Reported blue upconversion from U 4 + doped into Cs 2ZrCl 6 single crystals under green laser excitation, P.A Tanner, J. Dexpert-Ghys, Z.W. Pei and J. Lin Matrix-isolated oxygen: line-shapes and transition probabilities of the b 1I; ~ X 3I;, b I '2.; ~ a I Llg and a lLl g ~ X 3'2.; transitions, G. Tyczkowski, U. Schurath, M. Bodenbinder and H. Willner Phonon termoactivated exciton tunneling in crystals of weak charge transfer complexes N-TCPA doped with Nd8-TCPA, V.V. Eremenko, V.A. Karachevtsev and V.V. Slavin Structure and selective visible photodissociation of the 03:Br2 and 03:BrCI complexes: an infrared matrix isolation and ab initio study, M. Bahou, L. Schriver-Mazzuoli, A. Schriver and P. Chaquin The tunneling frequencies of the isotopic forms of methane in rare-gas solids, D. Smith Glasses KOhlrausch relaxation in electronic and molecular glasses, J.C Phillips Comments on the mode coupling theory for structural relaxation, W. Gotze and L. Sjogren Peculiarities of the diffusion of silver and sodium ions in phosphate glasses with a high content of Na 2 0, V.M. Syutkin and V.A Tolkatchev Dispersive transport of triplet excitation of benzaldehyde in solid ethanol solution, S.A Bagnich Peculiarities of the enthalpy relaxation of a glassy crystal, 0. Delcourt, M. Descamps, J. Even, M. Bertault and J.F. Willart Methyl radicals migration in glassy ethanol-l,2 d s at 90 K as studied by hydrogen atom abstraction from the additives, V.L. Vyazovkin and V.A Tolkatchev Sol-gel hosts doped with porphyrin derivatives. Part I. Spectroscopy, hole-burning and spectral diffusion, S.G. Kulikov, AV. Veret-Lemarinier, J.P. Galaup, F. Chaput and J.P. Boilot Sol-gel hosts doped with porphyrin derivatives. Part II. Site selection spectra and vibronic analysis, S.M. Arabei, S.G. Kulikov, AV. Veret-Lemarinier and J.P. Galaup

212 (1996) 409

213 (1996) 421 214 (1997) 341 217 (1997) 99 218 (1997) 43

211 (1996) 421

212 (1996) 221 215 (1997) 125

215 (1997) 379 216 (1997)

216 (1997) 105 220 (1997) 279

212 (1996) 41 212 (1996) 47 212 (1996) 149 214 (1997) 351 215 (1997) 51 216 (1997) 135

216 (1997) 147 216 (1997) 163

Subject index to volume 211-220

70

The influence of the interaction of carbonyl compounds with the matrix walls on phosphorescence of their solution in porous glasses, S.A. Bagnich Line broadening in a polymer glass as investigated by stimulated photon echo spectroscopy: spectral diffusion versus heating effects, S.J. Zilker and D. Haarer Liquid crystals Order parameters and carbon shielding tensors of bis-MSB from I3 C NMR measurements in a nematic liquid crystal, R. Tarroni and C. Zannoni The disperse kinetics of intercolumnar charge recombination in pulse-irradiated mesomorphic phthalocyanines, J.M. Warman, P.G. Schouten, G.H. Gelinck and M.P. de Haas A new potential for the description of intermolecular interactions for rigid biaxial molecules, V.V. Ginzburg, M.A. Glaser and N.A. Clark Polymers Irreversible random transitIOn theory as applied to rate processes in condensed media: Transient effects of constrained configuration rearrangements in complex systems, Yu.A. Berlin Time-resolved electroluminescence from single and bilayer LEDs based upon substituted poly-arylenevinylenes, Y.-H. Tal<, H. Vestweber, H. Blissler, A. Bleyer, R. Stockmann and H.-H. Harhold Second harmonic generation in partially ordered media and at interfaces: analysis of dynamical and orientational factors, D.L. Andrews and J.D. Hands Inelastic neutron scattering studies of polyanilines and partially deuterated analogues, F. Fillaux, N. Leygue, R. Baddour-Hadjean, S. Parker, P. Colomban, A. Gruger, A. Regis and L.T. Yu Dynamical resonance and tunneling in a driven system with periodic potential, E.M. Zanardi and J.M. Gomez Llorente Hole transport in vapor deposited enamines and enamine doped polymers, J.A. Sinicropi, J.R. Cowdery-Corvan, E.H. Magin and P.M. Borsenberger Semiconductors Charge transfer dynamics of electrochemical dark and photoprocesses on semiconductors. Part I: Manifold of stationarity conditions of hydrogen reaction emerging from dark to photoregimes of n-materials, and dark admittance evaluation, W. Lorenz, M. Handschuh and F. Bergmann Charge transfer dynamics of electrochemical dark and photoprocesses on semiconductors. Part II: Fermi energy characteristics and photoadmittance functions, F. Bergmann, M. Handschuh and W. Lorenz Ultracold atoms in modulated standing light waves, K. Drese and M. Holthaus Dynamical resonance and tunneling in a driven system with periodic potential, E.M. Zanardi and J.M. Gomez Llorente Photoacoustic spectra of BaFBr:Eu2+ phosphors, Y. Zhang Metals and alloys Vibronic theory of electric hysteresis Boukheddaden and F. Varret

III

218 (1997) 277 220 (1997) 167

211 (1996) 337 212 (J 996) 183 214 (1997) 253

212 (1996) 29

212 (1996) 471 213 (1996) 277

216 (1997) 281 217 (1997) 221 218 (1997) 331

215 (1997) 139

215 (1997) 157 217 (1997) 201 21 7 (I 997) 221 219 (1997) 353

"bistable" mixed-valence molecular salts, K. 216 (1997) 373

Subject index to volume 2 JJ-220

Thin films The orientation of the transition dipole moments of TMA-DPH embedded in a poly(vinylalcohoO film, J.M. Muller, D.H. Harryvan, J.CD. Verhagen, G. van Ginkel and E.E. van Faassen Time-resolved electroluminescence from single and bilayer LEDs based upon substituted poly-arylenevinylenes, Y.-H. Tak, H. Vestweber, H. Bassler, A. Bleyer, R. Stockmann and H.-H. Harhold Molecular dynamics simulations of water/metal and water/vacuum interfaces with a polarizable water model, A. Kohlmeyer, W. Witschel and E. Spohr Femtosecond dynamics of excited states in sexithiophene thin films, G. Klein, C Jundt, B. Sipp, A.A. Villaeys, A. Boeglin, A. Yassar, G. Horowitz and F. Gamier Surfaces Molecular dynamics simulations of water/metal and water/vacuum interfaces with a polarizable water model, A. Kohlmeyer, W. Witschel and E. Spohr Second harmonic generation in partially ordered media and at interfaces: analysis of dynamical and orientational factors, D.L. Andrews and 1.0. Hands Structures and potential energy surface of Faujasitic zeolite/water, J. Limtrakul, P. Treesukol, C Ebner, R. Sansone and M. Probst Disordered surfaces: a smoothed He-target scattering potential for metal atoms adsorbed on metal surfaces, G. Petrella. L. Cassidei and F. Ciriaco Lie algebraic method for vibrational and rotational transitions in inelastic collisions of a molecule with a solid surface, D. Guan, X. Yi, S. Ding and B. Yang Theoretical study on adsorption and proton exchange reaction of H 2 0 on H-form zeolite, N. Tajima, T. Taketsugu and K. Hirao Commensurability and transformations of adsorbed phases on a heterogeneous solid with periodic distribution of surface energy, J. Cortes and E. Valencia Quantum effects in adiabatic electrochemical electron-transfer reactions, MT.M. Koper, J.-H. Mohr and W. Schmickler Scattering of large argon clusters from a Pt(ll I) surface with low collision velocities, M. Svanberg. N. Markovic and J.B.C Pettersson Low-dimensional materials Relaxation and trapping of excitons in J-aggregates of a thiacarbocynine dye, M.A. Drobizhev, M.N. Sapozhnikov, I.G. Scheblykin, O.P. Vamavsky, M. Van der Auweraer and A.G. Vitukhnovsky Dielectrics Electric permittivity in the one- and two-phase region of I-nitropropane-hexadecane near-critical solution, M. Paluch, P. Habdas, SJ. Rzoska and T. Schimpel Specific and bulk solvent nonadditive contributions to the in-solution binding energy of ammonium-water clusters, J.C Contador, M.A. Aguilar and FJ.O. del Valle Charge-transfer excitons in the dielectric theory of molecular crystals, R.W. Munn Calculation of the solvent reorganization free energy in the dielectric cavity model, E.L. Mertz, E.D. German and A. M. Kuznetsov Plasmas Monte Carlo simulation studies on the validity of the Gram-Charlier calculations of velocity distributions of Na + swarm in neon gas, P.P. Ong and M.-M. Li

71

21 1 (1996) 413

212 (1996) 471 213 (1996) 211 215 (1997) 131

213 (1996) 211 213 (1996) 277 215 (1997) 77 216 (1997) 391 218 (1997) 218 (1997) 257 219 (1997) 235 220 (1997) 95 220 (1997) 137

211 (1996) 455

213 (I 996) 483 214 (1997) 113 215 (1997) 301 215 (1997) 355

211 (1996) lIS

72

Subject index to volume 211-220

Simulation of the SiH (A 2~ ~ X 2 n) emission spectrum in a silane glow discharge and derivation of an improved set of molecular constants, S. Stamou, D. Mataras and D. Rapakoulias

Biological systems Ab initio MP2 and DFf calculations of geometry and solution tautomerism of purine and some purine derivatives, A. Broo and A. Holmen The theory of Forster-type migration between clusters of strongly interacting molecules: application to light-harvesting complexes of purple bacteria, V.1. Novoderezhkin and A.P. Razjivin Molecular dynamics simulations of cis-trans isomerization for a proline-containing tripeptide in solution, S.Z. Wan, e.X. Wang, Y.W. Xu and Y.Y. Shi Solvent effects on sol-gel transition of alginate solutions by addition of cupric ions, H. Zheng, K. Jiang, Q. Zhang and 1. Wang Dynamic effects in non-adiabatic charge transfer, E. Gudowska-Nowak Dielectric relaxation models applied to the dynamics of myoglobin as determined by Mossbauer spectroscopy,!. Chang, H. Hartmann, Yu. Krupyanskii, A. Zharikov and F. Parak Conformational flexibility of arginine-82 as source for the heterogeneous and pH-dependent kinetics of the primary proton transfer step in the bacteriorhodopsin photocycle: An electrostatic model, e. Scharnagl and SF Fischer Vibrational spectrum of the K-590 intermediate in the bacteriorhodopsin photocycle at room temperature: picosecond time-resolved resonance coherent anti-Raman spectroscopy, L. Ujj, F. Jager, A. Popp and G.H. Atkinson Water residence times around copper plastocyanin: a molecular dynamics simulation approach, e. Rocchi, A.R. Bizzarri and S. Cannistraro Double exchange in distorted trimeric mixed-valence clusters, M.1. Belinsky Water structuring around complex solutes: theoretical modeling of a-D-glucopyranose, B. Leroux, H. Bizot, J.W. Brady and V. Tran Symmetry adapted basis defect patterns for analysis of the effects of energy disorder on cyclic arrays of coupled chromophores, H.-M. Wu and G.J. Small Phenomenological model for reaction kinetics coupled to a relaxing environment, Y.A. Berlin, A.L. Burin and SF Fischer

218 (1997) 57

21 I (1996) 147

21 I (1996) 203 211 (1996)227 211 (1996) 507 212 (J996) 115

212 (1996) 221

212 (1996) 231

212 (J996) 421 214 (1997) 261 215 (1997) 7 216 (1997) 349 218 (J997) 225 220 (1997) 25

Microscopic systems Atoms Time evolution of the rate constant for the tunneling reaction H 2 + D ~ H + HD in solid D 2 -H 2 mixtures at very low temperature, T. Kumada, Y. Aratono and T. Miyazaki The d-dimensional hydrogen atom: hyperspherical harmonics as momentum space orbitals and alternative Sturmian basis sets, V. Aquilanti, S. Cavalli and e. Coletti Application of the pairwise energy model to various isotopic variations of the H + H 2 reaction, J.-8. Song and E.A. Gislason The formalism and matrix elements of a complete potential-harmonic scheme for directly solving the Schrodinger equation of the helium atom, Y.-X. Wang and e.-H. Deng Theoretical study of the reaction of hydrogen with nitric acid: ab initio MO and TST/RRKM calculations, J.W. Boughton, S. Kristyan and M.e. Lin

212 (1996) 177 214 (1997) 214 (1997) 23 214 (1997) 33 214 (1997) 219

Subject index to volr4me 2//-220

Calculation of ground- and excited-state potential energy curves for the Hg 2 molecule in a pseudopotential approach, E. Czuchaj, F. Rebentrost, H. Stoll and H. Preuss A quantal entropy signature for the dynamics of pure states: Studies on some model problems, P. Sarkar, S. Adhikari and S.P. Bhattacharyya Fine-structure dependence of the Ar*(3Po,2) + NiX) excitation transfer process, EJ.D. Vredenbregt, WJ.M. Rooyakkers, R.J.F. van Gerwen, PJ. van de Hurk and H.C.W. Beijerinck Ar*eP2 )/Kr*(3Po,2) + NiX) ex.citation transfer collisions: final state rotational alignment, EJ.D. Vredenbregt, W.J.M. Rooyakkers, M.J.M. Vugts, PJ. van de Hurk and H.C.W. Beijerinck Accurate universal Gaussian basis set for hydrogen through lanthanum generated with the generator coordinate Hartree-Fock method, F.E. Jorge, E.V.R. de Castro and AB.F. da Silva Spin-orbit interaction in heavy group 13 atoms and TIAr, T. Leininger, A. Berning, A. Nicklass, H. Stoll, H.-J. Werner and H.-J. Flad Theoretical study of multiple high-order harmonic generation by intense ultrashort pulsed laser fields: A new generalized pseudospectral time-dependent method, X.-M. Tong and SA. Chu The unusual effect of reagent vibrational excitation on the rates of endothermic and ex.othermic elementary combustion reactions, A. Lifshitz and H. Teitelbaum Molecular dynamics simulations of a potassium ion and an iodide ion in liquid ammonia, A Tongraar, S. Hannongbua and B.M. Rode Highly correlated QDPT-CI calculations of valence and core photoelectron spectra of Ne, G. Fronzoni and P. Decleva A three-body calculation for collision-induced dissociation, K. Sakai Classification of Cm I energy levels using PCA-BPN and PCA-NLM, X. Cao, H. Liu and N. Chen Ionization and fragmentation of OCS and CS 2 after photoexcitation around the sulfur 2p edge, U. Ankerhold, B. Esser and F. von Busch

Molecules (neutral and ionic) Magnetic field dependent yield of geminate radical pair recombination in micelles. Effect of intraradical spin lattice relaxation, J.S. J¢rgensen, J.B. Pedersen and AI. Shushin Translational spectroscopy of H - produced by collision induced dissociation of H r on He, H. Martinez and A. Amaya-Tapia Dynamics of the vibrational mode-specific proton transfer reaction NHr( VI) + NH 3 ~ NH 2 + NH;: ab initio MO and classical trajectory studies, H. Tachikawa Generalized oscillator strengths for SF6 in the S 2p inner-shell region, Z. Felfli, I. Fomunung, D. Bessis and AZ. Msezane Dissociation constants of some substituted cinnamic acids in pTOtic solvents: measurements by hyper-Rayleigh scattering and potentiometric techniques, P.c. Ray, N. Munichandraiah and P.K. Das Development and interconnections of the temperatures in the translational, rotational and vibrational degrees of freedom in a potassium monomer/ dimer beam, A Obrebski, T. Kaps and U. Cerny Ab initio study on the electronic structure of the 4 2 1 + and 5 2 1 + excited states of CO +, N. Honjou and E. Miyoshi Calculation of magnetizabilities using GIAO current density distributions, T.A. Keith

73

214 (1997) 277 215 (1997) 309

216 (1997) 259

216 (1997) 273

2] 6 (1997) 317 217 (1997) 19

217 (1997) 119 219 (1997) 243 219 (J997) 279 220 (J 997) 15 220 (1997) 115 220 (1997) 289 220 (1997) 393

211 (J996) 235 2]] (1996) 299 21 1 (I 996) 305 211 (1996) 325

2] 1(1996) 499

212 (1996) 3 1I 212 (1996) 363 213 (1996) 123

74

Subject index to volume 2/ /-220

Ab initio study of unimolecular pyrolysis mechanisms of dithioformic acid, X. Xie, Y. Tao, H. Cao and W. Duang An ab initio study of the potential energy surface in the S I state of 2-hydroxypyridine, AL. Sobolewski and L. Adamowicz On the sampling of microcanonical distribution for rotating triatomic molecules, I. Rosenblum, E.I. Dashevskaya, E.E. Nikitin and I. Oref A critical analysis of the two-dimensional atom ellipsoid model to study rotational collisions, J.e. Belchior and J.P. Braga A new method of calculating exponential operators for scattering problems, AV. Storozhev Dissociative excitation of CH 4 by electron impact: Emission cross sections for the fragment species, K. Motohashi, H. Soshi, M. Ukai and S. Tsurubuchi Photodissociation dynamics of HN,(DN,) + h lJ -4 H(D) + N" M. Lock, K.-H. Gericke and FJ. Comes High-resolution threshold photoelectron spectroscopy of molecular fluorine, AJ. Cormack, AJ. Yencha, R.I. Donovan, KP. Lawley, A. Hopkirk and G.e. King The anharmonic effect as originated from the asymmetry of a rotor. The case study of an asymmetric rotor coupled with a simple harmonic oscillator, G. Wu On the calculation of hydrogen NMR chemical shielding, D.B. Chesnut Ab initio calculations of electronic spectra of H 2 S and H 2 S 2 , M. Pericou-Cayere, M. Gelize and A Dargelos Theoretical study of the reaction of hydrogen with nitric acid: ab initio MO and TST/RRKM calculations, J.W. Boughton, S. Kristyan and M.e. Lin Ab initio calculations of S J excited state vibrational spectra of benzene, naphthalene and anthracene, G.S. Jas and K. Kuczera Using triazine as coupling unit for intra and intermolecular ferromagnetic coupling I, J. Zhang and M. Baumgarten A classical approach to resonant low-energy electron scattering off molecules: application to the aI-shape resonance of CF,CI, L. Lehr, J. Manz and W.H. Miller Rotational and vibrational excitation of the N; (B) state in a He + N2 electron-beam plasma, A.E. Belikov Comparison of the numerical matrix multiplication and quantum Monte Carlo simulations: calculation of spatial delocalization parameters, R.G. Schmidt, M.e. Bahm and J. Brickmann Rotation/precession of NH 3 groups in Hofmann clathrates, M. Neumann and G.I. Kearley The effect of middle range forces on the rate constant of a fast chemical reaction within adiabatic capture theory, A. Beghin and T. Stoecklin A quantal entropy signature for the dynamics of pure states: Studies on some model problems, P. Sarkar, S. Adhikari and S.P. Bhattacharyya Effect of strong excitation of the CO 2 asymmetric mode on transport properties, A. Chikhaoui and E.V. Kustova On the determination of Dg(CaBr) from translational energy threshold measurements, M. Garay Salazar, J.M. area and A. Gonzalez Urena Dynamical simulation of the driven spin-boson system: The influence of interblip correlations, M. Winterstetter and U. Weiss Photodissociation of Art in strong laser fields, P. Schwendner, F. Seyl and R. Schinke Simultaneous control of selectivity and yield of molecular dissociation. Pulsed incoherent interference control, M. Shapiro, Z. Chen and P. Brumer

213 (1996) 133 213 (1996) 193 213 (1996) 243 213 (1996) 303 213 (1996) 313 213 (1996) 369 213 (1996) 385 213 (1996) 439 214 (1997) 15 214 ( 1997) 73 214 (1997) 81 214 (1997) 219 214 (1997) 229 214 (1997) 291 214 (1997) 301 215 (1997) 97

215 (1997) 207 215 (1997) 253 215 (1997) 261 215 (1997) 309 216 (1997) 297 216 (1997) 365 217 (1997) 155 217 (1997) 233 217 (1997) 325

Subject index to volume 211-220

Vibrational spectrum and structure of LiOSi. An infrared matrix isolation and density functional theory study, B. Tremblay, M.E. Alikhani and L. Manceron Application of the antibunching in dye fluorescence: measuring the excitation rates in solution, U. Mets, J. Widengren and R. Rigler Theoretical study on adsorption and proton exchange reaction of HzO on H-form zeolite, N. Tajima, T. Taketsugu and K Hirao Tunneling splitting in vibrational spectra of non-rigid molecules. I. Perturbative instanton approach, V.A. Benderskii, E.V. Vetoshkin, S.Yu. Grebenshchikov, L. von Laue and H.P. Trommsdorff Tunneling splitting in vibrational spectra of non-rigid molecules. II. Excited states, V.A. Benderskii, E.V. Vetoshkin, L. von Laue and H.P. Trommsdorff Alternative calculations for internal rotations: Assessment via Mathieu and multi-Fourier term potentials, W.E. Mellor, A.R Lee and T.M. Kalotas A three-body calculation for collision-induced dissociation, K Sakai -diatomic The dissociation energies of FeF, FeCI, and FeBr and their positive ions, C.W. Bauschlicher Jf. Rydberg basis set effects on ab initio second hyperpolarizabilities of Hz, C 6 H 6 and CS z molecules, T. Hamada An investigation of the photodissociation of molecular oxygen in the 75 to 85 nm region, A.L. Jones, A.I. Blake, L. Torop and D.G. McCoy Photophysics and photochemistry of I z (D, D') in rare gas clusters, KL. Randall and DJ. Donaldson Fast-ion beam laser spectroscopy of 14 N; and 15 N;: high-resolution study of the (1,2) band of the B zl: -X z '2'.; system, K Boudjarane, A. Alikacem and M. Larzilliere Orbital momentum profiles and binding energy spectra for the complete valence shell of molecular fluorine, Y. Zheng, C.E. Brion, M.J. Brunger, K Zhao, A.M. Grisogono, S. Braidwood, E. Weigold, SJ. Chakravorty, E.R. Davidson, A. Sgamellotti and W. von Niessen Ab initio study on the electronic structure of the 4 z ~ + and 5 z '2'. + excited states of CO +, N. Honjou and E. Miyoshi Optically pumped laser emission in K z involving rovibrationallevels near the B ln u state dissociation limit, B.K Clark, J.M. Standard, Z.I. Smolinski, D.P. Ripp and J.R. Fleming An IPA procedure for bound-continuum diatomic transition intensities, V.S. Ivanov and V.B. Sovkov Rotational relaxation of nitrogen in helium, A.E. Belikov, RG. Sharafutdinov and A.V. Storozhev Interatomic potentials for XO + and B31 states of intercombination cadmium line 326.1 nm broadened by Ar pressure, G.D. Roston, M.S. Helmi and T. Grycuk High-resolution threshold photoelectron spectroscopy of molecular fluorine, A.I. Cormack, AJ. Yencha, R.I. Donovan, K.P. Lawley, A. Hopkirk and G.c. King Influence of the molecular environment on the hyperfine interaction of III Cd ions in gaseous radioactive indium halides, C. Ruth, M. Griindel, I. Eschrich, L. Ziegeler and I. Borchert Application of the pairwise energy model to various isotopic variations of the H + Hz reaction, J.-B. Song and E.A. Gislason

75

218 (1997) 37 218 (1997) 191 218 (1997) 257

219 (1997) 119 219 (1997) 143 219 (1997) 257 220 (1997) 115

211 (1996) 163 211 (1996) 171 211 (1996) 291 211 (1996) 377 211 (1996) 393

212 (1996) 269 212 (1996) 363

213 (1996) 229 213 (1996) 295 213 (1996) 319 213 (1996) 365 213 (1996) 439

213 (1996) 454 214 (1997) 23

76

Subject index to volume 211-220

The vibrational dependence of the hydrogen and oxygen nuclear magnetic shielding constants in OH- and OH-· HzO, S.P.A. Sauer, V. Spirko, I. Paidarova and W.P. Kraemer Calculation of ground- and excited-state potential energy curves for the Hg z molecule in a pseudopotential approach, E. Czuchaj, F. Rebentrost, H. Stoll and H. Preuss Is He H- a stable system?, G.L. Bendazzoli, S. Evangelisti and F. Passarini Matrix-isolated oxygen: line-shapes and transition probabilities of the b I!,: --+ X 3!,~, b I!,: --+ a lag and a lag --+ X 3!,~ transitions. G. Tyczkowski, U. Schurath, M. Bodenbinder and H. Willner Accurate density-functional calculation of core-electron binding energies with a scaled polarized triple-zeta basis set. (II). Confirmation with a total of seventy-six cases, M. Pulfer, c.-H. Hu and D.P. Chong Accurate density-functional calculation of core-electron binding energies with a scaled polarized triple-zeta basis set. (III). Extension to open-shell molecules, c.-H. Hu and D.P. Chong Analysis of the D'2 g -A'2 u transition in the molecular iodine by laser-induced-fluorescence Fourier-transform spectrometry, D. Cerny, R. Bacis, S. Churassy, D. Inard, M. Larnrini and M. Nota Fine-structure dependence of the Ar*(3Poz ) + NlX) excitation transfer process, E.J.D. Vredenbregt, W.J.M. Rooyakkers, R.J.F. van Gerwen, P.J. van de Hurk and H.C.W. Beijerinck Ar * (3p z )/Kr * (3po.z ) + NlX) excitation transfer collisions: final state rotational alignment, E.J.D. Vredenbregt, W.J.M. Rooyakkers, M.J.M. Vugts, P.J. van de Hurk and H.C.W. Beijerinck Isotope effects on the rate constants for the processes 0z + 0 --+ + Oz and 0z + 0 + Ar --+ 03 + Ar. On a modified ground-state potential energy surface for ozone, A. Gross and G.D. Billing Femtosecond quantum dynamics of photoassociation reactions: the exciplex formation of mercury, P. Backhaus and B. Schmidt Photodissociation of Art in strong laser fields, P. Schwendner, F. Seyl and R. Schinke Stimulated emission processes and strong field effects in ultrashort pulse excitation of a predissociative molecule, H. Dietz, A. Materny and V. Engel Theory of ultrafast laser control for state-selective dynamics of diatomic molecules in the ground electronic state: vibrational excitation, dissociation, spatial squeezing and association, M.V. Korolkov, J. Manz and G.K. Paramonov Lie algebraic method for vibrational and rotational transitions in inelastic collisions of a molecule with a solid surface, D. Guan, X. Yi, S. Ding and B. Yang Rovibrational dependence of the nuclear quadrupole coupling constants of HF, OH- and NeH+, J. Vojtik and J. Fiser Simulation of the SiH (A za --+ X z ll) emission spectrum in a silane glow discharge and derivation of an improved set of molecular constants, S. Stamou, D. Mataras and D. Rapakoulias Observation of fine structure and hyperfine structure depolarization in the photofragment anisotropy in triplet Hz, E.R. Wouters, L.D.A. Siebbeles, K.L. Reid, B. Buijsse and W.J. van der Zande Nonadiabatic transitions and interference in photodissociation dynamics, D. Romstad, G. Granucci and M. Persico

°

214 (1997) 91 214 (1997) 277 215 (1997) 217

215 (1997) 379

216 (1997) 91

216 (1997) 99

216 (1997) 207

216 (1997) 259

216 (1997) 273

217 (1997) 217 (1997) 131 217 (1997) 233 217 (1997) 249

217 (1997) 341 218 (1997) 218 (1997) 13

218 (1997) 57

218 (1997) 309 219 (1997) 21

Subject index to volume 2l1-220

77

"Free" nuclear density propagation in two dimensions. The coupled-channel density matrix method and its application to inelastic molecule-surface scattering, L. Pesce and P. Saalfrank The unusual effect of reagent vibrational excitation on the rates of endothermic and exothermic elementary combustion reactions, A Lifshitz and H. Teitelbaum

-small polyatomics Transport coefficients for NO+ ions in helium gas: a test of the NO+ -He interaction potential, L.A Viehland, A.S. Dickinson and R.G.A.R. Maclagan Selective rovibrational energy transfer: A classical trajectory study of collisional energy redistribution in methyl radical, G.S. Peng and R.P. Parson Rydberg basis set effects on ab initio second hyperpolarizabilities of H 2 , C 6 H 6 and CS 2 molecules, T. Hamada Dynamics of the vibrational mode-specific proton transfer reaction NH VI) + NH 3 -+ NH 2 + NHt: ab initio MO and classical trajectory studies, H. Tachikawa Multiple absorption and relaxation processes in SF6 -CH 4 mixtures: an experimental study, J. Jovanovic-Kurepa, D.D. Markusev and M. Terzic Absorption cross section measurements of water vapor in the wavelength region 120 to 188 nm, K. Yoshino, J.R. Esmond, W.H. Parkinson, K. Ito and T. Matsui Comment on "energy partitioning in photodissociation of methyl, ethyl, and n-propyl iodides at 304 nm", S.W. North, TJ. Sears, G.E. Hall and T. Suzuki Interstellar silicon-nitrogen chemistry. 1. The microwave and the infrared signatures of the HSiN, HNSi, HSiNH 2 , HNSiH 2 and HSiNH+ species, 0. Parisel, M. Hanus and Y. Ellinger Vibrational structure of the BrCN+ ion from high resolution photoelectron spectroscopy, J.H.D. Eland, P. Baltzer, M. Lundqvist, B. Wannberg and L. Karlsson Dynamical symmetry in the vibrational overtone spectrum of monofluoroacetylene (HCCF), E.S. Bemardes, Y.M.M. Homos and J.E.M. Homos The ArCIF Van der Waals complex as an example of how atoms inside a molecule interact with those outside, F.Y. Naumkin The use of locally dense basis sets in correlated NMR chemical shielding calculations, D.B. Chesnut and E.F.e. Byrd A critical analysis of the two-dimensional atom ellipsoid model to study rotational collisions, J.e. Belchior and J.P. Braga Dissociative excitation of CH 4 by electron impact: Emission cross sections for the fragment species, K. Motohashi, H. Soshi, M. Ukai and S. Tsurubuchi Ab initio determination of quasi-diabatic states for multiple reaction pathways, P. Cattaneo and M. Persico The vibrational dependence of the hydrogen and oxygen nuclear magnetic shielding constants in OH- and OH-· H 2 0, S.P.A Sauer, V. Spirko, 1. Paidarova and W.P. Kraemer An ab initio treatment of the Norrish type-II process in pentane-2-one and the role of tunneling of hydrogen, V. Sreedhara Rao and AK. Chandra The formation and dissociation of the dinitrogen pentoxide dication, C.S.S. O'Connor, N.e. Jones and S.D. Price Polarization propagator study of electronic excitation in key heterocyclic molecules1. Pyrrole, AB. Trofimov and J. Schirmer

t(

219 (1997) 43 219 (1997) 243

211 (1996) 211 (1996) 17 211 (1996) 171 211 (1996) 305 211 (1996) 347 211 (1996) 387 211 (1996) 515

212 (1996) 331 212 (1996) 457 213 (1996) 17 213 (1996) 33 213 (1996) 153 213 (1996) 303 213 (1996) 369 214 (1997) 49

214 (1997) 91 214 (1997) 103 214 (1997) 131 214 (1997) 153

78

Subjeci index 10 volume 211-220

A Ml<'lIer-Plesset perturbation theory and coupled-cluster study of the reaction enthaJpies and barrier heights for the FCO + Hz ~ HFCO + H abstraction reaction, J.S. Francisco A spectroscopic and photoisomerisation study of bromine dioxides in argon matrices, J. Kolm, A. Engdahl, 0. Schrems and B. NeJander The use of threshold photoelectron - fluorescence photon coincidence spectroscopy for the measurement of the radiative lifetimes of emitting states of CF3 X+ (X = F, H, CI, Br) ions, H. Biehl, K.J. Boyle, D.M. Smith and RP. Tuckett Vacuum-UV fluorescence spectroscopy of CF3 X (X = F,H,C1,Br) in the range 10-30 eV, H. Biehl, KJ. Boyle, R.P. Tuckett, H. Baumganel and H.W. Jochims Tunnelling of the one-dimensional rotor NH 3 D+ in the NH 4 C104 and NH 4 PF6 lattices, H.G. Buttner, GJ. Kearley and B. Frick Dipole polarizability and hyperpolarizability of FCN, CICN, BrCN and ICN, G. Maroulis and e. Pouchan Theoretical study of the low-lying excited states of ABCO, DABCO and homologous cage amines, V. Galasso Excited electronic states of the methyl radical. Ab initio molecular orbital study of geometries, excitation energies and vibronic spectra, A.M. Mebel and S.-H. Lin Photoabsorption and photoionization of the valence and inner (P 2p, 2s) shells of PF3 : absolute oscillator strengths and dipole-induced breakdown pathways, J.W. Au, G. Cooper and e.E. Brion Cotton-Mouton effect and shielding polarizabilities of ethylene: an MCSCF study, S. Coriani, A. Rizzo, K. Ruud and T. Helgaker Accurate density-functional calculation of core-electron binding energies with a scaled polarized triple-zeta basis set. (nO. Extension to open-shell molecules, e.-H. Hu and D.P. Chong Threshold photoelectron spectroscopy of SF6 , A.J. Yencha, D.B. Thompson, AJ. Cormack, D.R Cooper, M. Zubek, P. Bolognesi and G.C. King Infrared bands of mass-selected carbon chains C n (n = 8-12) and C; (n = 5-10, 12) in neon matrices, P. Freivogel, M. Grutter, D. Forney and J.P. Maier Isotope effects on the rate constants for the processes 02 + + Oz and 02 + + Ar -.. 0 3 + Ar. On a modified ground-state potential energy surface for ozone, A. Gross and G.D. Billing Nuclear relaxation and vibrational contributions to the static electrical properties of polyatomic molecules: beyond the Hartree-Fock approximation, J.M. Luis, J. Marti, M. Duran and J.L. Andres A weak-mode representation of floppy molecules. Part IV. Spectroscopic states of model HCN and CNH, X. Chapuisat, e. Saint-Espes, e. Zuhrt and L. Ziilicke Raman bandshape analysis of oxocarbon ions in aqueous solutions, M.e.e. Ribeiro, L.F.e. de Oliveira and P.S. Santos A theory of coherent control of reaction dynamics based on the optimization of a linear time-invariant system with complex variables, Y. Watanabe, H. Umeda, Y. Ohtsuki, H. Kono and Y. Fujimura A simulation of ultrafast state-selective IR-Iaser-controlled isomerization of hydrogen cyanide based on global 3D ab initio potential and dipole surfaces, W. Jakubetz and B.L. Lan Quantitative studies of the photoabsorption and photoionization of PCI 3 in the valence and inner (P 2p,2s; CI 2p,2s) shell regions, l.W. Au and e.E. Brion

°-.. °

°

214 (I 997) 213 214 (I997) 313

214 (1997) 357 214 (1997) 367 214 (1997) 425 215 (1997) 67 215 (1997) 183 215 (I997) 329

215 (1997) 397 216 (1997) 53

2 16 ( 1997) 99 216 (1997) 227 216 (1997) 401

217 (J 997)

217 (1997) 29 217 (1997) 43 217 (I 997) 71

217 (1997) 317

217 (1997) 375 218 (1997) 87

Subject index to volume 211-220

Absolute oscillator strengths for the valence-shell photoabsorption (2-200 eV) and the molecular and dissociative photoionization (11-80 eV) of nitrogen dioxide, J.W. Au and C.E. Brion Absolute photoabsorption and photoionization studies of methyl bromide using dipole electron impact and synchrotron radiation PES technique, TN. Olney, G. Cooper, W.F. Chan, G.R. Burton, CE. Brion and K.H. Tan Photodissociation spectroscopy of ICN in the vacuum ultraviolet region, K. Kanda, S. Katsumata, T. Nagata, T. Kondow, A Hiraya. K. Tabayashi and K. Shobatake Uncoupled effective Hamiltonians for molecules with several vibrational modes coupled by Coriolis and centrifugal terms, M.S. Krishnan and T. Carrington Jr. Hybrid density functional theory, Gaussian, and complete basis set ab initio studies of the stability of aluminum monocarbonyl and aluminum isocarbonyl, B.S. Jursic Ab initio calculation of the electronic spectrum and ionization potentials of hydrazine, M.-P. Habas, I. Baraille, C Larrieu and M. Chaillet A photoabsorption, photodissociation and photoelectron spectroscopy study of C zH 4 and C Z D4 , D.M.P. Holland, D.A. Shaw, M.A. Hayes, L.G. Shpinkova, E.E. Rennie, L. Karlsson, P. Baltzer and B. Wannberg Ab initio study of the structure, vibrational spectra and binding energy of HCl-ClO and Clz-ClO complexes, S. Aloisio and J.S. Francisco Theoretical study of cyclic radicals NO x (x = 2-6), Y. Li and S. Iwata Alternative calculations for internal rotations: Assessment via Mathieu and multi-Fourier term potentials, W.E. Mellor, A.R. Lee and TM. Kalotas Fast collision-induced redistribution of vibrational energy in halogenated methanes, AA. Kosterev, A.A Makarov, A.L. Malinovsky and E.A Ryabov Diatomics-in-molecules study of the ground and excited states of H3", AK. Belyaev and A.S. Tiukanov Non-exponential decays of the Sl vibronic levels of acetaldehyde, S.-H. Lee and I.-C Chen The photoabsorption spectrum of vinylchloride (C zH 3 CI) in the 8-12 eV range, R. Locht, B. Leyh, K. Hottmann and H. Baumgiirtel The He(I), threshold photoelectron and constant ion state spectroscopy of vinylchloride (C 2 H 3CI), R. Locht, B. Leyh, K. Hottmann and H. Baumgiirtel Reaction dynamics of the Ca(lD z, 3 pJ ) + CH 3 1 --4 Cal * + CH 3 system: chemiluminescence, energy disposal and product polarization, J.M. Orea, A. Laplaza, CA Rinaldi, G. Tardajos and A Gonz3.lez Urena Ionization and fragmentation of OCS and CS z after photoexcitation around the sulfur 2p edge, U. Ankerhold, B. Esser and F. von Busch

-aromatics Solvent reorganization energy of electron transfer in weakly polar solvents, D.V. Matyushov Spin-orbit effects in fullerenes, FJ. Adrian Rydberg basis set effects on ab initio second hyperpolarizabilities of Hz, C 6 H 6 and CS z molecules, T Hamada The orientation of the transition dipole moments of TMA-DPH embedded in a poly(vinylalcohoI) film, J.M. Muller, D.H. Harryvan, J.C.D. Verhagen, G. van Ginkel and E.E. van Faassen Single molecule polarization spectroscopy: pentacene in p-terphenyl, F. Giittler, M. Croci, A Renn and U.P. Wild

79

218 (1997) 109

218 (1997) 127 218 (1997) 199 219 (1997) 31 219 (1997) 57 219 (1997) 63

219 (1997) 91 219 (1997) 201 219 (1997) 209 219 (1997) 257 219 (1997) 305 220 (1997) 43 220 (1997) 175 220 (1997) 207 220 (1997) 217

220 (1997) 337 220 (1997) 393

211 (1996) 47 211 (1996) 73 211 (1996) 171

211 (1996) 413 211(1996)421

80

Subject index to volume 2/1-220

Higher excited-state triplet-singlet intersystem crossing of some organic dyes, S. Reindl and A. Penzkofer The charge transfer state of excited bianthryl and a derivative: solvatochromism, emission CT spectra broadening in homogeneous solvents, H. Laguitton-Pasquier, R. Pansu, J.-P. Chauvet, A. Collet, J. Faure and R. Lapouyade Triplet quantum yield determination by picosecond laser double-pulse fluorescence excitation, S. Reindl and A. Penzkofer Experimental and theoretical study of the Cis shakeup spectra from biphenyl and pterphenyl, C. Enkvist, S. Lunell and S. Svensson Common features of various mechanisms of electron transfer across a 4,4'-bipyridine bridge: a theoretical evaluation of resonance structures of the transition state, P. Karafiloglou The molecular and electronic states of 1,2,4,5-tetrazine studied by VUV absorption, near-threshold electron energy-loss spectroscopy and ab initio multi-reference configuration interaction studies, M.H. Palmer, H. McNab, D. Reed, A. Pollacchi, I.e. Walker, M.F. Guest and M.R.F. Siggel Ab initio calculations of S 1 excited state vibrational spectra of benzene, naphthalene and anthracene, G.S. Jas and K. Kuczera Dispersive transport of triplet excitation of benzaldehyde in solid ethanol solution, S.A. Bagnich Photophysics of 4-dimethylarnino 4'-cyanostilbene and model compounds: dual excited states revealed by sub-picosecond transient absorption and Kerr ellipsometry, E. Abraham, J. Oberle, G. Jonusauskas, R. Lapouyade and C. Rulliere Hybridizations of fullerenes: their relations with properties and applications in computation, X.P. Yu, ZL Cao and R.S. Han Time resolved spectroscopy of nonlinear solvation with pulses longer than electronic dephasing, B.D. Fainberg and B. Zolotov Vibrational analyses of the tetrathiosquarate ion based on ab initio molecular orbital and density functional calculations: Effect of the Jahn-Teller distortion in the excited electronic state on Raman intensities, H. Torii, M. Tasumi, I.M. Bell and R.I.H. Clark Photophysics of trans-stilbene analogues: indolo[3,2-b lindole and its heterosubstituted sulfur and selenium derivatives, S. Dobrin, P. Kaszynski, S. Ikeda and J. Waluk Symmetrised quantum-mechanical force-fields and INS spectra: s-triazine, trichloro-s-triazine and pyrazine, G.I. Kearley, J. Tomkinson, A. Navarro, 1.1. Lopez Gonzalez and M. Fernandez Gomez Fast interactions between Rh6G and dGTP in water studied by fluorescence correlation spectroscopy, J. Widengren, J. Dapprich and R. Rigler The phosphorescence excitation spectrum of jet-cooled 4-H-l-benzopyrane-4-thione, A.A. Ruth, F.J. 0' Keeffe, R.P. Brint and M.W.D. Mansfield The electronic structure of 4-(N,N-dimethylamino)-4'-cyano-biphenyl and its planar and twisted model compounds, M. Maus and W. Rettig The deactivation of singlet excited all-trans-l ,6-diphenylhexa-l ,3,5-triene by charge transfer processes. 2. Formation and dynamics of charge transfer (CT) intermediates, F. Schael, J. KUster and H.-G. Lohmannsroben Application of the antibunching in dye fluorescence: measuring the excitation rates in solution, O. Mets, J. Widengren and R. Rigler Photoionizationjdissociation of alkyl substituted benzene molecules using intense near-infrared radiation, M.I. DeWitt, D.W. Peters and R.I. Levis

211 (1996) 431

212 (1996) 437 213 (1996) 429 214 (1997) 123

214 (1997) 171

214 (1997) 191 214 (1997) 229 214 (1997) 351

214 (1997) 409 215 (1997) 216 (1997)

7

216 (1997) 67 216 (1997) 179

216 (1997) 323 216 (I997) 417 217 (1997) 83 218 (1997) 151

218 (1997) 175 218 (1997) 191 218 (1997) 211

Subject index to volume 211-220

The influence of the interaction of carbonyl compounds with the matrix walls on phosphorescence of their solution in porous glasses, S.A. Bagnich Picosecond time-resolved dual fluorescence, transient absorption and reorientation time measurements of push-pull diphenyl-polyenes: evidence for 'loose' complex and 'bieimer' species, E. Abraham, J. Oberle, G. Jonusauskas, R. Lapouyade, K. Minoshima and C. Rulliere The relationship between the molecular structure of semiquinone radicals and their g-values, M. Knlipling, J.T. Tarring and S. Un

-other large Subpicosecond studies of the solvation dynamics of fluoroprobe in liquid solution, E.R Middelhoek, H. Zhang, J.W. Verhoeven and M. Glasbeek An ab initio treatment of the Norrish type-II process in pentane-2-one and the role of tunneling of hydrogen, V. Sreedhara Rao and A.K. Chandra Spectroscopy and photophysics of C 60 H I8 and C 6o H 36 , RV. Bensasson, TJ. Hill, EJ. Land, S. Leach, DJ. McGarvey, T.G. Truscott, J. Ebenhoch, M. Gerst and C. Riichardt Femtosecond dynamics of excited states in sexithiophene thin films, G. Klein, C. Jundt, B. Sipp, A.A. Villaeys, A. Boeglin, A. Yassar, G. Horowitz and F. Garnier Imaging of the HOMO electron density in Cr{CO)6' MO(CO)6 and W(CO)6 by electron momentum spectroscopy: a comparison with Hartree-Fock and DFT calculations, J. Rolke, Y. Zheng, C.E. Brion, SJ. Chakravorty, E.R. Davidson and I.E. McCarthy Increase and saturation of the third order hyperpolarizabilities in homologous series of symmetric cyanines, W. Werncke, M. Pfeiffer, T. Johr, A. Lau, W. Grahn, H.-H. Johannes and L. Dahne Vibronic and vibrational coherence and relaxation dynamics of molecules in condensed phases, M. Hayashi, T.-S. Yang, A. Mebel, C.H. Chang, S.H. Lin and N.F. Scherer Reverse saturable absorption in palladium and zinc tetraphenyltetrabenzoporphyrin doped xerogels, M. BruneI, F. Chaput, S.A. Vinogradov, B. Campagne, M. Canva, J.P. Boilot and A. Brun Enhanced nonlinear optical properties and thermal stability of donor-acceptor substituted oligothiophenes, F. Steybe, F. Effenberger, S. Beckmann, P. Kramer, c. Glania and R Wortmann Two-photon absorption in non-centrosymmetric dyes, S. Delysse, P. Raimond and J.-M. Nunzi Strong-field approach to ultrafast pump-probe spectra: dye molecules in solution, D.H. Schirrmeister and V. May The magnetic field influence on bridge-assisted electron transfer, E.G. Petrov, LS. Tolokh, V.V. Gorbach and V. May -polymeric and biological Ab initio MP2 and DFT calculations of geometry and solution tautomerism of purine and some purine derivatives, A. Broo and A. Holmen A temperature-dependent effective potential explains CO binding to myoglobin, N. Agmon and G.M. Sastry Exploratory Pariser-Parr-Pople investigation of the static first hyperpolarizability of polymethineimine chains, D. Jacquemin, B. Champagne, J.-M. Andre and B. Kirtman Influence of pressure on the ferroelectric phase transition in a symmetrical polymerizable diacetylene crystal DNP, J. Even, M. Bertault, A. Girard and Y. Delugeard

81

218 (1997) 277

219 (1997) 73 219 (1997) 291

211 (1996) 489 214 (1997) 103 215 (1997) III 215 (1997) 131

215 (1997) 191

216 (1997) 337 217 (1997) 259

218 (1997) 301

219 (1997) 317 219 (1997) 341 220 (1997) 220 (1997) 249

211 (1996) 147 212 (1996) 207 213 (1996) 217 213 (1996) 357

82

Subject index to volume 2/1-220

Experimental and theoretical study of the CIs shakeup spectra from biphenyl and pterphenyl, e. Enkvist, S. Lunell and S. Svensson Poly-amino-enolates: first examples of odd altemant conducting polymers, AJ.W. Tol Phenomenological model for reaction kinetics coupled to a relaxing environment, Y.A. Berlin, AL. Burin and S.P. Fischer Spectroscopic properties of chlorophylls and their derivatives. Influence of molecular structure on the electronic state, Y. Nonomura, S. Igarashi, N. Yoshioka and H. Inoue

Molecular aggregates The theory of Forster-type migration between clusters of strongly interacting molecules: application to light-harvesting complexes of purple bacteria, V.I. Novoderezhkin and AP. Razjivin Relaxation and trapping of excitons in I-aggregates of a thiacarbocynine dye, M.A Drobizhev, M.N. Sapozhnikov, LG. Scheblykin, O.P. Vamavsky, M. Van der Auweraer and AG. Vitukhnovsky The disperse kinetics of intercolumnar charge recombination in pulse-irradiated mesomorphic phthalocyanines, J.M. Warman, P.G. Schouten, G.H. Gelinck and M.P. de Haas Preferential solvation study: Solvation of sodium chloride in water-hydroxylamine mixtures, S. Vizoso and B.M. Rode IR induced isomerisation of HDO complexes: a method for the observation of FIR spectra of matrix isolated water complexes, A Engdahl and B. Nelander Positronium dynamics in aqueous solutions of ionic surfactants, G. Consolati and F. Quasso Specific and bulk solvent nonadditive contributions to the in-solution binding energy of ammonium-water clusters, I.e. Contador, M.A Aguilar and FJ.O. del Valle Using triazine as coupling unit for intra and intermolecular ferromagnetic coupling I, I. Zhang and M. Baumgarten Calculation of triplet-singlet transition efficiencies controlled by relative rotational diffusion of the two constituents of covalently linked radical pairs, K.M. SaJikhov, I. SchIiipmann, M. Plato and K. Mobius A study of the hydration of aluminate minerals based on the measurements of the mean and the variance of the proton magnetic resonance relaxation rate, AB. Kudryavtsev, T.V. Kouznetsova, W. Linert and G. Hunter Matrix isolation and theoretical studies of ONNO: Assignment of a new combination band and density functional calculations, I.F. Canty, E.G. Stone, S.B.H. Bach and D.W. Ball Inclusion of ion-pair states in the diatomics-in-molecules description of potential energy surfaces: van der Waals complexes of He-Cl z and Ar-CI 2 , B.L. Grigorenko, AV. Nemukhin and V.A Apkarian Intermolecular potential for phenol based on the test particle model, K. Sagarik and P. Asawakun Effects of CCl 4 on positronium formation in pure isooctane and in AOT/water/isooctane microemulsions, M.F. Ferreira Marques, H.D. Burrows, M. da Gra~a Miguel, AP. de Lima, C. Lopes Gil and G. Duplatre Nonradiative processes and infrared emission in matrix isolated ND, N. Caspary, B.E. Wurfel, AM. Smith and V.E. Bondybey Degree of aggregation of indocyanine green in aqueous solutions determined by Mie scattering, R. Weigand, F. Rotermund and A Penzkofer I-aggregation and disaggregation of indocyanine green in water, F. Rotermund, R. Weigand and A. Penzkofer

214 (1997) 123 215 (1997) 319 220 (J 997) 25 220 (1997) 155

211 (I 996) 203

211 (1996) 455 212 (1996) 183 213 (1996) 77 213 (J996) 333 213 (1996) 449 214 (1997) 113 214 (1997) 291

215 (1997) 23

215 (1997) 419 216 (1997) 81

219 (1997) 161 219 (J 997) 173

220 (1997) 233 220 (1997) 241 220 (1997) 373 220 ( 1997) 385

Subject index to volume 211-220

-dimers Ab initio calculation of the intennolecular potential energy surface of (COz)z and first applications in simulations of fluid COz' M. Welker, G. Steinebrunner, J. Solca and H. Huber Influence of the molecular environment on the hyperfine interaction of III Cd ions in gaseous radioactive indium halides, C. Ruth, M. GrUndel, I. Eschrich, L. Ziegeler and I. Borchert Structures and potential energy surface of Faujasitic zeolite/water, J. Limtrakul, P. Treesukol, C. Ebner, R. Sansone and M. Probst Matrix isolation and theoretical studies of aNNa: Assignment of a new combination band and density functional calculations, J.F. Canty, E.G. Stone, S.B.H. Bach and D.W. Ball Infrared photoisomerization of the methanol dimer trapped in argon matrix: monochromatic irradiation experiments and DFT calculations, S. Coussan, Y. Bouteiller, A. Loutellier, J.P. Perchard, S. Racine, A. Peremans, W.Q. Zheng and A. Tadjeddine Quantum chemical exploration of the HCI dimer interaction, A.W. Meredith, L. Ming and S. Nordholm Forward and reverse excitation energy transport in concentrated two-component systems, P. Bojarski and L. Kulak

-van der Waals molecules Ab initio calculation of three-body interaction in the (H Z )3 trimer, P. Wind and I. Rlbeggen Potential energy curve of the XO + (I I +) ground state of HgAr detennined from AO +( 3 IT) ~ XO + and B I I + ) ~ XO + fluorescence spectra, J. Koperski Optical potential discrete variable representation method applied to the three-dimensional calculations of NeICI predissociation resonances, M. Monnerville and J.-M. Robbe The ArCIF Van der Waals complex as an example of how atoms inside a molecule interact with those outside, FY. Naumkin Laser-induced fluorescence excitation spectroscopy of jet-cooled tropolone-carbon monoxide van der Waals complexes, H.K. Sinha, V.J. MacKenzie and R.P. Steer Interaction forces and energy transfer dynamics of LiH (I I +) and helium atoms. I. The ab initio evaluation of the lowest potential energy surface, FA. Gianturco, S. Kumar, S.K. Pathak, M. Raimondi, M. Sironi, J. Gerratt and D.L. Cooper Interaction forces and energy transfer dynamics of LiH( II +) and helium atoms. II. Rotationally inelastic collisions and excitation efficiency, FA. Gianturco, S. Kumar, S.K. Pathak, M. Raimondi and M. Sironi The van der Waals vibrational frequencies of the aniline-carbon monoxide complex in its SI state, J.-G. Jackel, R. Schmid, H. Jones, T. Nakanaga and H. Takeo Spin-orbit interaction in heavy group 13 atoms and TlAr, T. Leininger, A. Berning, A. Nicklass, H. Stoll, H.-J. Werner and H.-J. Flad Construction of a molecular beam Fourier transfonn microwave spectrometer used to study the 2,5-dihydrofuran-argon van der Waals complex, J.L. Alonso, F.J. Lorenzo, J.C. Lopez, A. Lesarri, S. Mata and H. Dreizler Infrared spectroscopy of aniline-X (X = N z, CH 4 , CHF3 , CO) clusters and their corresponding cluster cations in the NHz-stretching vibration region, R.P. Schmid, P.K. Chowdhury, J. Miyawaki, F Ito, K. Sugawara, T. Nakanaga, H. Takeo and H. Jones Intennolecular vibrations of the van der Waals complex p-C 6 H 4 FCH 3 .•. Ar, Y. Hu, W. Lu and S. Yang

e

83

213 (1996) 253

213 (1996) 454 215 (1997) 77 216 (1997) 81

219 (1997) 221 220 (1997) 63 220 (1997) 323

211 (1996) 179 211 (1996) 191 211 (1996) 249 213 (1996) 33 213 (1996) 397

215 (1997) 227

215 (1997) 239 215 (1997) 291 217 (1997) 19

218 (1997) 267

218 (1997) 291 218 (1997) 325

84

Subject index to volume 211-220

Inclusion of ion-pair states in the diatomics-in-molecules description of potential energy surfaces: van der Waals complexes of He-Cl z and Ar-Cl z ' B.L. Grigorenko, A.V. Nemukhin and V.A. Apkarian Ab initio study of the structure, vibrational spectra and binding energy of HCI-CIO and Clz-CIO complexes, S. Aloisio and J.S. Francisco

-clusters Infrared spectroscopy of matrix-isolated carbon clusters, with emphasis on C g and C 9 , J. Szczepanski, S. Ekern, e. Chapo and M. Vala Photophysics and photochemistry of I z (D, Dr) in rare gas clusters, KL. Randall and D.I. Donaldson Solvent effects on sol-gel transition of alginate solutions by addition of cupric ions, H. Zheng, K Jiang, Q. Zhang and J. Wang Spin-correlated radical pairs in micellar systems: mechanism of CIDEP and the micelle size dependence, V.F. Tarasov, H. Yashiro, K Maeda, T. Azumi and LA. Shkrob Intracluster ion-molecule reactions induced by the synchrotron radiation in allyl bromideammonia clusters, e. Dedonder-Lardeux, e. louvet, S. Martrenchard-Barra, D. Solgadi, F. Talbot, M. Vervloet, I. Dimicoli and M. Richard-Viard Spin-spin interactions in the reduced [Fe 6 S 6 ]5+ cluster, M. Czerwinski and J. D~rowski Fast translational therrnalization of extreme disequilibrium induced by cluster impact, T. Raz and R.D. Levine Specific and bulk solvent nonadditive contributions to the in-solution binding energy of ammonium-water clusters, I.e. Contador, M.A. Aguilar and F.I.O. del Valle Electronic charge density transfer along a constrained reaction path from a hydronium ion configuration into a hydrogen chemisorption state on Cu(lOO), An.M. Kuznetsov and W. Lorenz Double exchange in distorted trimeric mixed-valence clusters, M.L Belinsky Clusters containing BF3 , O(CH 3 )z and aromatic compounds: An electron impact and photoionization study, e.G. Eisenhardt, S. Ring, H.-W. Jochims and H. Baumgiirtel Carbon-oxygen clusters as hypothetical high energy-density materials, S. Evangelisti cluster, E. A full quantum study of the vibrational predissociation mechanisms in Buonomo, F.A. Gianturco, M. Pilar de Lara, S. Miret-Artes, G. Delgado-Barrio and P. Villarreal Temperature of neutral clusters produced in a seeded molecular beam, and energy transfer during the photoionization process, Ph. Dugourd, D. Rayane, R. Antoine and M. Brayer Infrared spectroscopy of aniline-X (X = N z' CH 4 , CHF3 , CO) clusters and their corresponding cluster cations in the NHz-stretching vibration region, R.P. Schmid, P.K Chowdhury, J. Miyawaki, F. Ito, K. Sugawara, T. Nakanaga, H. Takeo and H. Jones Double exchange in tetrameric tetrahedral clusters with two-electron transfer: magnetic properties, V.P. Coropceanu, F.G. Paladi, S.1. Boldyrev and V.I. Gamurar C 90 temperature effects on relative stabilities of the IPR isomers, Z. Slanina, X. Zhao, S.-L. Lee and E. Osawa Scattering of large argon clusters from a PtO I J) surface with low collision velocities, M. Svanberg, N. Markovic and J.Re. Pettersson Nonradiative processes and infrared emission in matrix isolated ND, N. Caspary, RE. Wurfel, A.M. Smith and V.E. Bondybey

Ar;

219 (1997) 161 219 (1997) 201

211 (1996) 359 211 (1996) 377 211 (1996) 507 212 (1996) 353

212 (1996) 371 213 (1996) 45 213 (1996) 263 214 (1997) 113

214 (1997) 243 215 (1997) 7 216 (1997) 427 218 (1997) 21

218 (1997) 71 218 (1997) 163

218 (1997) 291 219 (1997) 219 (1997) 193 220 (1997) 137 220 (1997) 241

Subject index to volume 2 J J -220

-complexes Irreversible random transition theory as applied to rate processes in condensed media: Transient effects of constrained configuration rearrangements in complex systems, YU.A. Berlin Laser-induced fluorescence excitation spectroscopy of jet-cooled tropolone-carbon monoxide van der Waals complexes, H.K. Sinha, V.I. MacKenzie and R.P. Steer A study of the I B 2 excited state geometries of the metal-metal quadruply bonded compounds M0 2X 4(PMe 3)4 (X = Cl, Br or I), C. Svendsen, MJ. Nielsen, O.S. Mortensen, S.J.R. Allers and R.J.H. Clark Evaluation of luminescence decay measurements probed on pure and doped Pt(IV) hexahalogeno complexes I. Exponential rise time and decay curves applying various statistical tests, I. Biertiimpel and H.-H. Schmidtke Structure and selective visible photodissociation of the 03:Br2 and 03:BrCl complexes: an infrared matrix isolation and ab initio study, M. Bahou, L. Schriver-Mazzuoli, A. Schriver and P. Chaquin Ion pairing of bisdimethylamino pentamethinecyanine perchlorate and its consequences on the cis-trans photoisomerization dynamics, G. Ponterini Microsolvation of Cl anion by water clusters: Perturbative Monte Carlo simulations using a hybrid HF/MM potential, T.N. Truong and E.V. Stefanovich Calculated thermodynamics of reactions involving NO+· X complexes (where X = H 20, N2 and CO 2), P. Mack, 1.M. Dyke and T.G. Wright Hybrid density functional theory, Gaussian, and complete basis set ab initio studies of the stability of aluminum monocarbonyl and aluminum isocarbonyl, B.S. lursic Molecular dynamics simulations of a potassium ion and an iodide ion in liquid ammonia, A. Tongraar, S. Hannongbua and B.M. Rode Collision-induced electronic transitions in complexes between benzene and molecular oxygen, RF. Minaev, K.V. Mikkelsen and H. Agren

Free radicals (including hydronium and muonium) Experimental and theoretical study of the recombination reaction of FC(O)O radicals, A.E. Croce, C.l. Cobos and E. Castellano Magnetic field dependent yield of geminate radical pair recombination in micelles. Effect of intraradical spin lattice relaxation, J.S. J~rgensen, J.B. Pedersen and A.I. Shushin Calculations on ground and excited state potential energy surfaces of floppy free radicals: HC 4 H 2, HC 3NH, and HC 30, H. Wang and A.L. Cooksy Electron attachment products of methylene chloride in solid argon: an experimental and quantum chemical IR spectroscopic study, A. Richter, H. Meyer, T. Kausche, T. MUller, W. Sporleder and A. Schweig Ultraviolet absorption and cross sections of propargyl (C 3H 3) radicals in the 230-300 nm region, A. Fahr, P. Hassanzadeh, B. Laszlo and R.E. Huie Excited electronic states of the methyl radical. Ab initio molecular orbital study of geometries, excitation energies and vibronic spectra, A.M. Mebel and S.-H. Lin Methyl radicals migration in glassy ethanol-l,2 d s at 90 K as studied by hydrogen atom abstraction from the additives, V.L. Vyazovkin and V.A. Tolkatchev Theoretical study of cyclic radicals NO x (x = 2-6), Y. Li and S. Iwata A contribution to the theory of OD EPR of spin-correlated radical pairs, K.M. Salikhov, Y. Sakaguchi and H. Hayashi

85

212 (1996) 29 213 (1996) 397

215 (1997) 89

215 (1997) 271

216 (1997) 105 216 (1997) 193 218 (1997) 31 218 (1997) 243 219 (1997) 57 219 (1997) 279 220 (1997) 79

211 (1996) 215 211 (1996) 235 213 (1996) 139

214 (1997) 321 215 (1997) 59 215 (1997) 329 216 (1997) 135 219 (1997) 209 220 (1997) 355

86

Subject index to volume 211-220

Quasiparticles (including excirons) Remote ionization and recombination through the multichannel electron transfer, AI. Burshtein and P.A Frantsuzov Exciton scattering, k selection rule, exciton bandwidth in pyrene microcrystallites, and lattice relaxation energy for the origin of V luminescence, Y. Oeda, 0. Nishi, Y. Matsushima, K. Mizuno, A.H. Matsui, M. Michinomae, M. Takeshima and T. Goto U1tracold atoms in modulated standing light waves, K. Drese and M. Holthaus Defects and impurities Optical spectroscopy, fluorescence dynamics and crystal-field analysis of Er3+ in YV04 , lA Capobianco, P. Kabro, F.S. Ermeneux, R. Moncorge, M. BettineIIi and E. Cavalli Electron paramagnetic resonance of Ni(II) doped tris(ethylenediamine)zinc(II) dinitrate, C.R. Wilson, M.J. Riley, D. Wang and G.R. Hanson Dynamical simulation of the driven spin-boson system: The influence of interblip correlations, M. Winterstetter and U. Weiss Symmetry adapted basis defect patterns for analysis of the effects of energy disorder on cyclic arrays of coupled chromophores, H.-M. Wu and GJ. Small Ions and charge carriers A Kramers reaction rate theory for electrochemical ion transfer reactions, M.T.M. Koper and W. Schmickler Dynamics of geminate charge separation in liquid methylcyclohexane studied by the photoassisted ion pair separation technique, FF Brazgun, V.A. Nadtochenko, LV. Rubtsov and L. V. Lukin Remote ionization and recombination through the multichannel electron transfer, A.I. Burshtein and P.A Frantsuzov Peculiarities of the diffusion of silver and sodium ions in phosphate glasses with a high content of Na 2 0, V.M. Syutkin and V.A Tolkatchev The disperse kinetics of intercolumnar charge recombination in pulse-irradiated mesomorphic phthalocyanines, J.M. Warman, P.G. Schouten, G.H. Gelinck and M.P. de Haas Common features of various mechanisms of electron transfer across a 4,4'-bipyridine bridge: a theoretical evaluation of resonance structures of the transition state, P. Karafiloglou Electron attachment products of methylene chloride in solid argon: an experimental and quantum chemical IR spectroscopic study, A. Richter, H. Meyer, T. Kausche, T. Muller, W. Sporleder and A. Schweig Drift velocity of ions in lighter gases in electric and magnetic fields, L. Ferrari and A Carbognani Charge transfer dynamics of electrochemical dark and photoprocesses on semiconductors. Part I: Manifold of stationarity conditions of hydrogen reaction emerging from dark to photoregimes of n-materials, and dark admittance evaluation, W. Lorenz, M. Handschuh and F Bergmann Charge transfer dynamics of electrochemical dark and photoprocesses on semiconductors. Part II: Fermi energy characteristics and photoadmittance functions, F. Bergmann, M. Handschuh and W. Lorenz The effect of middle range forces on the rate constant of a fast chemical reaction within adiabatic capture theory, A. Beghin and T. Stoecklin

212 (1996) 137

213 (1996) 421 217 (1997) 201

214 (1997) 329 217 (1997) 63 217 (1997) 155 218 (1997) 225

211 (1996) 123

211 (1996) 469 212 (1996) 137 212 (1996) 149 212 (1996) 183

214 (1997) 171

214 (1997) 321 215 (1997) 37

215 (1997) 139

215 (\997) 157 215 (1997) 261

Subject index to volume 211-220

Inelastic neutron scattering studies of polyanilines and partially deuterated analogues, F. Fillaux, N. Leygue, R. Baddour-Hadjean, S. Parker, P. Colomban, A Gruger, A Regis and L.T. Yu Microsolvation of Cl anion by water clusters: Perturbative Monte Carlo simulations using a hybrid HF/MM potential, T.N. Truong and E.V. Stefanovich Diatomics-in-molecules study of the ground and excited states of H 3, AK. Belyaev and A.S. Tiukanov

87

216 (1997) 281 218 (1997) 31 220 (1997) 43

Phenomena Molecular structure Spin-orbit effects in fullerenes, FJ. Adrian Ab initio calculations of the rovibrational states of He z N 2+, J.M. Hughes and E.I. von Nagy-Felsobuki Ab initio MP2 and DFT calculations of geometry and solution tautomerism of purine and some purine derivatives, A. Broo and A. Holmen The dissociation energies of FeF, FeCI, and FeBr and their positive ions, C.W. Bauschlicher Jf. Potential energy curve of the XO+( I ~ +) ground state of HgAr determined from AO+(30) ---'> XO+ and Bl(32+) ---'> XO+ fluorescence spectra, J. Koperski Interstellar silicon-nitrogen chemistry. I. The microwave and the infrared signatures of the HSiN, HNSi, HSiNH z , HNSiH z and HSiNH+ species, 0. Parise!, M. Hanus and Y. Ellinger Dynamical symmetry in the vibrational overtone spectrum of monofluoroacetylene (HCCF), E.S. Bemardes, Y.M.M. Homos and J.E.M. Homos The ArCIF Van der Waals complex as an example of how atoms inside a molecule interact with those outside, F.Y. Naumkin Calculations on ground and excited state potential energy surfaces of floppy free radicals: HC 4 H z , HC 3 NH, and HC 3 0, H. Wang and AL. Cooksy Common features of various mechanisms of electron transfer across a 4,4'-bipyridine bridge: a theoretical evaluation of resonance structures of the transition state, P. Karafiloglou A M011er-Plesset perturbation theory and coupled-cluster study of the reaction enthalpies and barrier heights for the FCO + Hz ---'> HFCO + H abstraction reaction, J.S. Francisco A M011er-Plesset perturbation theory and coupled-cluster study of the reaction enthalpies and barrier heights for the FCO + Hz ---'> HFCO + H abstraction reaction, J.S. Francisco Ab initio calculations of S 1 excited state vibrational spectra of benzene, naphthalene and anthracene, G.S. Jas and K. Kuczera A spectroscopic and photoisomerisation study of bromine dioxides in argon matrices, J. KOlm, A Engdahl, 0. Schrems and B. Nelander Hybridizations of fullerenes: their relations with properties and applications in computation, X.P. Yu, Z.L. Cao and R.S. Han Poly-amino-enolates: first examples of odd altemant conducting polymers, AJ.W. Tol Excited electronic states of the methyl radical. Ab initio molecular orbital study of geometries, excitation energies and vibronic spectra, AM. Mebel and S.-H. Lin Matrix isolation and theoretical studies of ONNO: Assignment of a new combination band and density functional calculations, J.F. Canty, E.G. Stone, S.B.H. Bach and D.W. Ball

211 (1996) 73 211 (1996) 135 211 (1996) 147 211 (1996) 163 211 (1996) 191

212 (1996) 331 213 (1996) 17 213(1996) 33 213 (1996) 139

214 (1997) 171 214 (1997) 213 214 (1997) 213 214 (1997) 229 214 (1997) 313 215 (1997) 1 215 (1997) 319 215 (1997) 329 216 (1997) 81

88

Subject index to volume 211-220

Spin-orbit interaction in heavy group 13 atoms and TIAr, T. Leininger, A. Berning, A. Nicklass, H. Stoll, R-J. Werner and H.-J. Flad Carbon-oxygen clusters as hypothetical high energy-density materials, S. Evangelisti Microsolvation of Cl anion by water clusters: Perturbative Monte Carlo simulations using a hybrid HFjMM potential, T.N. Truong and E.V. Stefanovich Construction of a molecular beam Fourier transform microwave spectrometer used to study the 2,5-dihydrofuran-argon van der Waals complex. J.L. Alonso, FJ. Lorenzo, J.c. Lopez. A. Lesarri, S. Mata and R Dreizler Hybrid density functional theory, Gaussian, and complete basis set ab initio studies of the stability of aluminum monocarbonyl and aluminum isocarbonyl, B.S. Jursic C 90 temperature effects on relative stabilities of the IPR isomers, Z. Slanina, X. Zhao. S.-L. Lee and E. Osawa Ab initio study of the structure, vibrational spectra and binding energy of HCI-CIO and CI 2 -CIO complexes, S. Aloisio and J.S. Francisco Theoretical study of cyclic radicals NO, (x = 2-6), Y. Li and S. Iwata The relationship between the molecular structure of semiquinone radicals and their g-values, M. Kniipling, J.T. Torring and S. Un Diatomics-in-molecules study of the ground and excited states of H~, A.K. Belyaev and AS. Tiukanov Spectroscopic properties of chlorophylls and their derivatives. Influence of molecular structure on the electronic state, Y. Nonomura, S. Igarashi, N. Yoshioka and R Inoue Degree of aggregation of indocyanine green in aqueous solutions determined by Mie scattering, R. Weigand, F. Rotermund and A Penzkofer Vibrations and rotations of molecules Selective rovibrational energy transfer: A classical trajectory study of collisional energy redistribution in methyl radical, G.S. Peng and R.P. Parson Ab initio calculations of the rovibrational states of He 2 N2+, J.M. Hughes and E.!. von Nagy-Felsobuki An improved classical approach quantum encounter treatment of collision-induced vibrational energy transfer. Application to He + CO (n j = I. 2), N. Markovic, T.D. Sewell, S. Nordholm and A Miklavc Infrared spectroscopy of matrix-isolated carbon clusters, with emphasis on C g and C 9 , J. Szczepanski, S. Ekern, C. Chapo and M. Vala Fast-ion beam laser spectroscopy of 14 N2+ and 15 N;: high-resolution study of the (I, 2) band of the B 21; -X 21; system, K. Boudjarane, A Alikacem and M. Larzilliere Development and interconnections of the temperatures in the translational, rotational and vibrational degrees of freedom in a potassium monomer/dimer beam, A. Obrebski, T. Kaps and U. Cerny Interstellar silicon-nitrogen chemistry. !. The microwave and the infrared signatures of the HSiN, HNSi, HSiNH 2 , HNSiH 2 and HSiNH+ species, O. Parisel, M. Hanus and Y. Ellinger Vibrational spectrum of the K-590 intermediate in the bacteriorhodopsin photocycle at room temperature: picosecond time-resolved resonance coherent anti-Raman spectroscopy, L. Ujj, F. Jager, A Popp and G.H. Atkinson Vibrational structure of the BrCN+ ion from high resolution photoelectron spectroscopy, J.RD. Eland, P. Baltzer, M. Lundqvist, B. Wannberg and L. Karlsson Dynamical symmetry in the vibrational overtone spectrum of monofluoroacetylene (HCCF), E.S. Bemardes, Y.M.M. Homos and J.E.M. Homos

217 (1997) 19 218 (1997) 21 218 (1997) 31

218 (1997) 267 219 (1997) 57 219 (1997) 193 219 (1997) 201 219 (1997) 209 219 (1997) 291 220 (1997) 43 220 (1997) 155 220 (1997) 373

211 (1996) 17 211 (1996) 135

211 (1996) 277 211 (1996) 359 211 (1996)393

212 (1996) 311

212 (1996) 331

212 (1996) 421 212 (1996) 457 213 (1996) 17

Subject iruiex to volume 211-220

Conformational studies of cyclopropylcarbonyl fluoride from temperature dependent Ff-IR spectra of xenon solutions, J.R. Durig, S. Shen, W. Zhao and L. Zhou Conformational studies of propenoyl chloride in liquid xenon from temperature dependent Ff-IR spectra, J.R. Durig, Y. Li and Y. Jin On the sampling of microcanonical distribution for rotating triatomic molecules, I. Rosenblum, E.I. Dashevskaya, E.E. Nilcitin and I. Oref IR induced isomerisation of HDO complexes: a method for the observation of FIR spectra of matrix isolated water complexes, A. Engdahl and B. Nelander Vibrational dephasing in bromocyclohexane: how to separate contributions from different mechanisms, M. Kolodziejski, G. Waliszewska and H. Abramczyk The anharmonic effect as originated from the asymmetry of a rotor. The case study of an asymmetric rotor coupled with a simple harmonic oscillator, G. Wu An ab initio treatment of the Norrish type-II process in pentane-2-one and the role of tunneling of hydrogen, V. Sreedhara Rao and A.K. Chandra Ab initio calculations of S J excited state vibrational spectra of benzene, naphthalene and anthracene, G.S. Jas and K. Kuczera Tunnelling of the one-dimensional rotor NH 3 D+ in the NH 4 CI04 and NH 4 PF6 lattices, H.G. Biittner, G.J. Kearley and B. Frick Rotational and vibrational excitation of the Ni (B) state in a He + N2 electron-beam plasma, A.E. Be]ikov Comparison of the numerical matrix multiplication and quantum Monte Carlo simulations: calculation of spatial de]ocalization parameters, R.G. Schmidt, M.e. Bohm and J. Brickmann Rotation/precession of NH 3 groups in Hofmann clathrates, M. Neumann and G.J. Kearley Excited electronic states of the methyl radical. Ab initio molecular orbital study of geometries, excitation energies and vibronic spectra, A.M. Mebel and S.-H. Lin The origin and temperature dependence of the single particle, methyl-group rotational potential in acetic acid, M.R. Johnson, M. Neumann, B. Nicolai, P. Smith and G.J. Kear]ey Matrix isolation and theoretical studies of ONNO: Assignment of a new combination band and density functional calculations, J.F. Canty, E.G. Stone, S.B.H. Bach and D.W. Ball Sol-gel hosts doped with porphyrin derivatives. Part II. Site selection spectra and vibronic analysis, S.M. Arabei, S.G. Kulikov, A.V. Veret-Lemarinier and J.P. Ga]aup Fine-structure dependence of the Ar*(3Po.2 ) + NzCX) excitation transfer process, E.J.D. Vredenbregt, W.J.M. Rooyakkers, R.J.F. van Gerwen, P.J. van de Hurk and H.e.W. Beijerinck Ar • (3 P2 ) /Kr • (3PO.2 ) + NiX) excitation transfer collisions: final state rotational alignment, E.J.D. Vredenbregt, W.J.M. Rooyakkers, M.J.M. Vugts, P.J. van de Hurk and H.e.W. Beijerinck Effect of strong excitation of the CO 2 asymmetric mode on transport properties, A. Chikhaoui and E.V. Kustova Vibronic theory of electric hysteresis in "bistable" mixed-valence molecular salts, K. Boukheddaden and F. Varret A weak-mode representation of floppy molecules. Part IV. Spectroscopic states of model HCN and CNH, X. Chapuisat, e. Saint-Espes, e. Zuhrt and L. Ziilicke The phosphorescence excitation spectrum of jet-cooled 4-H-l-benzopyrane-4-thione, A.A. Ruth, F.J. O'Keeffe, R.P. Brint and M.WD. Mansfield

89

213 (J996) ]65 213 (J996) 181 213 (J 996) 243 213 (J996) 333 213 (J996) 341 214 (J997) 15 214 (J997) 103 214 (1997) 229 214 (J997) 425 215 (1997) 97

215 (l997) 207 215 (l997) 253 215 (1997) 329

215 (1997) 343 216 (1997) 81 216 (1997) 163

216 (J 997) 259

216 (1997) 273 216 (l997) 297 216 (1997) 373 217 (1997) 43 217 (1997) 83

90

Subject index to volume 211-220

Femtosecond quantum dynamics of photoassociation reactions: the exciplex formation of mercury, P. Backhaus and B. Schmidt Stimulated emission processes and strong field effects in ultrashort pulse excitation of a predissociative molecule, H. Dietz, A. Materny and V. Engel Molecular dynamics simulation of NaCI solutions in methanol-water mixtures. Intramolecular vibrations of the solvent components, E. Hawlicka and D. Swiatla-Wojcik Construction of a molecular beam Fourier transform microwave spectrometer used to study the 2,5-dihydrofuran-argon van der Waals complex, J.L. Alonso, FJ. Lorenzo, 1.c. Lopez, A. Lesarri, S. Mata and H. Dreizler Intermolecular vibrations of the van der Waals complex p-C 6 H 4 FCH 3 ..• Ar, Y. Hu, W. Lu and S. Yang Uncoupled effective Hamiltonians for molecules with several vibrational modes coupled by Coriolis and centrifugal terms, M.S. Krishnan and T. Canington Jr. Ab initio study of the structure, vibrational spectra and binding energy of HCl-ClO and C1 2 -C10 complexes, S. Aloisio and J.S. Francisco Infrared photoisomerization of the methanol dimer trapped in argon matrix: monochromatic irradiation experiments and DFT calculations, S. Coussan, Y. Bouteiller, A. Loutellier, J.P. Perchard, S. Racine, A. Peremans, W.Q. Zheng and A. Tadjeddine Alternative calculations for internal rotations: Assessment via Mathieu and multi-Fourier term potentials, W.E. Mellor, A.R. Lee and T.M. Kalotas Fast collision-induced redistribution of vibrational energy in halogenated methanes, A.A. Kosterev, A.A. Makarov, A.L. Malinovsky and E.A. Ryabov Strong-field approach to ultrafast pump-probe spectra: dye molecules in solution, D.H. Schirrmeister and V. May Spectroscopic investigation of ground state pyrrole CZ C 4 H s N): the N-H stretch, A. Mellouki, R. Georges, M. Herman, D.L. Snavely and S. Leytner

Electronic structure and states Correlated electronic potential-energy surfaces for prolan interactions with N 2 , F.A. Gianturco, S. Kumar and F. Schneider Pressure effects on the CliO/-A') transition at 258 nm, 1.B. Nee and S. Hubinger Single molecule polarization spectroscopy: pentacene in p-terphenyl, F. Guttier, M. Croci, A. Renn and D.P. Wild Orbital momentum profiles and binding energy spectra for the complete valence shell of molecular fluorine, Y. Zheng, C.E. Brion, M.J. Brunger, K. Zhao, A.M. Grisogono, S. Braidwood, E. Weigold, S.J. Chakravorty, E.R. Davidson, A. Sgamellotti and W. von Niessen Interstellar silicon-nitrogen chemistry. 1. The microwave and the infrared signatures of the HSiN, HNSi, HSiNH 2 , HNSiH 2 and HSiNH+ species, 0. Parisel, M. Hanus and Y. Ellinger Ab initio study on the electronic structure of the 4 2 I + and 5 2 I'" excited states of CO +, N. Honjou and E. Miyoshi An ab initio perturbed ion study of structural properties of Ti0 2 , Sn0 2 and GeO z rutile lattices, A.C. Camargo, J.A. Igualada, A. Beltran, R. L1usar, E. Longo and 1. Andres Reversible conformation change of free radicals in X-irradiated glutarimide single crystals studied by ENDOR, N.A. Salih, OJ. Eid, N.P. Benetis, M. Lindgren, A. Lund and E. Sagstuen

217 (1997) 131 217 (1997) 249 218 (1997) 49

218 (1997) 267 218 (1997) 325 219 (1997) 31 219 (1997) 201

219 (1997) 221 219 (1997) 257 219 (1997) 305 220 (1997) 220 (1997) 311

211 (996) 33 211 (1996) 403 211 (1996) 421

212 (1996) 269

212 (1996) 331 212 (1996) 363 212 (1996) 381

212 (1996) 409

Subject index to volume 211-220

Vibrational structure of the BrCN+ ion from high resolution photoelectron spectroscopy, J.H.D. Eland, P. Baltzer, M. Lundqvist, B. Wannberg and L. Karlsson A double origin proposed for the various Mossbauer spectra of biferrocenium salts: charge ordering and molecular bistability, F. Varret, 1. Linares and K. Boukheddaden Calculations on ground and excited state potential energy surfaces of floppy free radicals: HC 4 H 2 , HC 3 NH, and HC 3 0, H. Wang and A.L. Cooksy The use of locally dense basis sets in correlated NMR chemical shielding calculations, D.B. Chesnut and E.F.e. Byrd Dissociative excitation of CH 4 by electron impact: Emission cross sections for the fragment species, K. Motohashi, H. Soshi, M. Ukai and S. Tsurubuchi The formalism and matrix elements of a complete potential-harmonic scheme for directly solving the Schrodinger equation of the helium atom, Y.-X. Wang and e.-H. Deng Experimental and theoretical study of the CIs shakeup spectra from biphenyl and pterphenyl, e. Enkvist, S. Lunell and S. Svensson The molecular and electronic states of 1,2,4,5-tetrazine studied by VUV absorption. near-threshold electron energy-loss spectroscopy and ab initio multi-reference configuration interaction studies, M.H. Palmer, H. McNab, D. Reed, A. Pollacchi, I.e. Walker, M.F. Guest and M.R.F. Siggel Calculation of ground- and excited-state potential energy curves for the Hg 2 molecule in a pseudopotential approach, E. Czuchaj, F. Rebentrost, H. Stoll and H. Preuss Using triazine as coupling unit for intra and intermolecular ferromagnetic coupling I, J. Zhang and M. Baumgarten Charge-transfer states and the band gap in crystalline fullerene, A. Eilmes, R.W. Munn, B. Pac and P. Petelenz Ultraviolet absorption and cross sections of propargyl (C 3 H 3 ) radicals in the 230-300 nm region, A. Fahr, P. Hassanzadeh, B. Laszlo and R.E. Huie Charge transfer dynamics of electrochemical dark and photoprocesses on semiconductors. Part I: Manifold of stationarity conditions of hydrogen reaction emerging from dark to photoregimes of n-materials, and dark admittance evaluation, W. Lorenz, M. Handschuh and F. Bergmann Charge transfer dynamics of electrochemical dark and photoprocesses on semiconductors. Part II: Fermi energy characteristics and photoadmittance functions, F. Bergmann, M. Handschuh and W. Lorenz Theoretical study of the low-lying excited states of ABCO, DABCO and homologous cage amines, V. Galasso Imaging of the HOMO electron density in Cr(CO)6' Mo(CO\ and W(CO)6 by electron momentum spectroscopy: a comparison with Hartree-Fock and DFT calculations, J. Rolke, Y. Zheng, e.E. Brion, SJ. Chakravorty, E.R. Davidson and I.E. McCarthy Interaction forces and energy transfer dynamics of LiH (I !, +) and helium atoms. I. The ab initio evaluation of the lowest potential energy surface, F.A. Gianturco, S. Kumar, S.K. Pathak, M. Raimondi, M. Sironi, J. Gerratt and D.L. Cooper Charge-transfer excitons in the dielectric theory of molecular crystals, R.W. Munn Poly-amino-enolates: first examples of odd altemant conducting polymers, AJ.W. Tol Matrix-isolated oxygen: line-shapes and transition probabilities of the b I!,; -'> X 3!,~, b I!,: -'> a lAg and a lAg -'> X 3!,~ transitions, G. Tyczkowski, U. Schurath, M. Bodenbinder and H. Willner Photoabsorption and photoionization of the valence and inner (P 2p, 2s) shells of PF3 : absolute oscillator strengths and dipole-induced breakdown pathways, J.W. Au, G. Cooper and e.E. Brion

91

212 (1996) 457 212 (1996) 487 213 (1996) 139 213 (1996) 153 213 (1996) 369 214 (1997) 33 214 (1997) 123

214 (1997) 191 214 (1997) 277 214 (1997) 291 214 (1997) 341 215 (1997) 59

215 (1997) 139

215 (1997) 157 215 (1997) 183

215 (1997) 191

215 (1997) 227 215 (1997) 301 215 (1997) 319

215 (1997) 379

215 (1997) 397

92

Subject index to volume 211-220

Vibrational analyses of the tetrathiosquarate ion based on ab initio molecular orbital and density functional calculations: Effect of the Jahn-Teller distortion in the excited electronic state on Raman intensities, H. Torii, M. Tasumi, I.M. Bell and RJ.H. Clark Accurate density-functional calculation of core-electron binding energies with a scaled polarized triple-zeta basis set. (II). Confirmation with a total of seventy-six cases, M. Pulfer, C.-H. Hu and D.P. Chong Accurate density-functional calculation of core-electron binding energies with a scaled polarized triple-zeta basis set. (III). Extension to open-shell molecules, C.-H. Hu and D.P. Chong Analysis of the D'2 g -A'2 u transition in the molecular iodine by laser-induced-fluorescence Fourier-transform spectrometry, D. Cerny, R. Bacis, S. Churassy, D. Inard, M. Lamrini and M. Nota A quasi-atomic treatment of chemical and structural effects on K-shell excitations in hexagonal and cubic BN crystals, R. Franke, S. Bender, 1. Hormes, AA Pavlychev and N.G. Fominych Accurate universal Gaussian basis set for hydrogen through lanthanum generated with the generator coordinate Hartree-Fock method, F.E. Jorge, E.V.R de Castro and AB.F. da Silva Crystal structure and photoluminescence of single crystals of fullerene-9,9'-trans-bis(telluraxanthenyI) molecular complex: C26HlsTe2' C 60 ' CS 2 , V.V. Kveder, E.A Steinman, B.Zh. Narymbetov, S.S. Khasanov, L.P. Rozenberg. RP. Shibaeva, AV. Bazhenov, A.V. Gorbunov, M.Yu. Maksimuk, D.V. Konarev, RN. Lyubovskaya and Yu.A. Ossipyan Electron paramagnetic resonance of Ni(II) doped tris(ethylenediamine)zinc(II) dinitrate, C.R Wilson, MJ. Riley, D. Wang and G.R. Hanson Carbon-oxygen clusters as hypothetical high energy-density materials, S. Evangelisti Simulation of the SiH (A 2~ ~ X 20) emission spectrum in a silane glow discharge and derivation of an improved set of molecular constants, S. Stamou, D. Mataras and D. Rapakoulias Direct calculation of electronic Raman scattering intensity for Ce 3 + in CS 2 NaCeCl 6, M. Chua and P.A Tanner The electronic structure of 4-(N,N-dimethylamino)-4'-cyano-biphenyl and its planar and twisted model compounds, M. Maus and W. Rettig Photodissociation spectroscopy of ICN in the vacuum ultraviolet region, K. Kanda, S. Katsumata, T. Nagata, T. Kondow, A. Hiraya, K. Tabayashi and K. Shobatake Nonadiabatic transitions and interference in photodissociation dynamics, D. Romstad, G. Granucci and M. Persico Ab initio calculation of the electronic spectrum and ionization potentials of hydrazine, M.-P. Habas, I. BarailIe, C. Larrieu and M. Chaillet A photoabsorption, photodi ssociation and photoelectron spectroscopy study of C 2 H 4 and C 2 D4 , D.M.P. Holland, D.A Shaw, M.A. Hayes, L.G. Shpinkova, E.E. Rennie, L. Karlsson, P. Baltzer and B. Wannberg Theoretical study of cyclic radicals NO, (x = 2-6), Y. Li and S. Iwata Localization of a molecular orbitals: towards a better description of the electronic excited states of large conjugated molecules. A Germain and P. Millie Fluorescence excitation spectroscopy of some haloethenes, CFo =CXY (XY == FCI. Cl o • FH), excited in the vacuum ultraviolet (70-180 nm), M. -Ahmed, C.J. Apps, M.~J.

216 (1997) 67

216 (1997) 91

216 (1997) 99

216 (1997) 207

216 (1997) 243

216 (1997) 317

216 (1997) 407 217 (1997) 63 218 (1997) 21

218 (1997) 57 218 (1997) 83 218 (1997) 151 218 (1997) 199 219 (1997) 21 219 (1997) 63

219 (1997) 91 219 (1997) 209 219 (1997) 265

93

Subject index to lJolume 211-220

Bramwell, J.L. Cooper, e. Hughes, K. Reinhardt, J.e. Whitehead, F. Winterbottom and A. Hopkirk Two-photon absorption in non-centrosymmetric dyes, S. Delysse, P. Raimond and J.-M. Nunzi Photoacoustic spectra of BaFBr:Eu2+ phosphors, Y. Zhang VUV optical-absorption and electron-energy-loss spectroscopy of formamide, J.M. Gingell, N.J. Mason, H. Zhao, I.e. Walker and M.RF. Siggel Classification of Cm I energy levels using PCA-BPN and PCA-NLM, X. Cao, H. Liu and N. Chen Extended Fenske-Hall LCAO MO calculations of core-level shifts in solid P compounds, R. Franke, T Chasse, J. Reinhold, P. Streubel and R. Szargan

Electric and magnetic properties Spin-orbit effects in fullerenes, F.J. Adrian Peculiarities of the diffusion of silver and sodium ions in phosphate glasses with a high content of NazO, V.M. Syutkin and V.A. Tolkatchev Reversible conformation change of free radicals in X-irradiated glutarimide single crystals studied by ENDOR, N.A. Salih, 0.1. Eid, N.P. Benetis, M. Lindgren, A. Lund and E. Sagstuen Spin-spin interactions in the reduced [Fe6S6F~ cluster, M. Czerwinski and J. D~browski Calculation of magnetizabilities using GIAO current density distributions, TA. Keith The use of locally dense basis sets in correlated NMR chemical shielding calculations, D.E. Chesnut and E.F.e. Byrd On the calculation of hydrogen NMR chemical shielding, D.B. Chesnut The vibrational dependence of the hydrogen and oxygen nuclear magnetic shielding constants in OH- and OH-· HzO, S.P.A. Sauer, V. Spirko, 1. Paidarova and W.P. Kraemer Electronic charge density transfer along a constrained reaction path from a hydronium ion configuration into a hydrogen chemisorption state on Cu(100), An.M. Kuznetsov and W. Lorenz Using triazine as coupling unit for intra and intermolecular ferromagnetic coupling I, 1. Zhang and M. Baumgarten Charge-transfer states and the band gap in crystalline fullerene, A. Eilmes, RW. Munn, B. Pac and P. Petelenz Influence of rotational diffusion on the electric field induced effect on the fluorescence spectrum of diluted solutions. I. Theory and numerical simulations, H. Reis and W. Baumann Hybridizations of fullerenes: their relations with properties and applications in computation, X.P. Yu, Z.L. Cao and RS. Han Double exchange in distorted trimeric mixed-valence clusters, M.1. Belinsky Drift velocity of ions in lighter gases in electric and magnetic fields, L. Ferrari and A. Carbognani Dipole polarizability and hyperpolarizability of FCN, CICN, BrCN and ICN, G. Maroulis and e. Pouchan Cotton-Mouton effect and shielding polarizabilities of ethylene: an MCSCF study, S. Coriani, A. Rizzo, K. Ruud and T Helgaker

219 (1997) 333 219 (1997) 341 219 (1997) 353 220 (1997) 191 220 (1997) 289 220 (1997) 299

211 (1996) 73 212 (1996) 149

212 (1996) 409 213 (1996) 45 213 (1996) 123 213 (1996) 153 214 (1997) 73

214 (1997) 91

214 (1997) 243 214 (1997) 291 214 (1997) 341

214 (1997) 383 215 (1997) 215 (1997)

1 7

215 (1997) 37 215 (1997) 67 216 (1997) 53

94

Subject index to voLume 21 J-220

Nuclear relaxation and vibrational contributions to the static electrical properties of polyatomic molecules: beyond the Hartree-Fock approximation, J.M. Luis, J. MartI, M. Duran and J.L. Andres Electron paramagnetic resonance of Ni(II) doped tris(ethylenediamine)zinc(II) dinitrate, c.R. Wilson, M.J. Riley, D. Wang and G.R. Hanson Rovibrational dependence of the nuclear quadrupole coupling constants of HF, OH- and NeH +, 1. Vojti1< and J. FiSer Nature of the magnetic interaction of Wurster's radicals in the solid state, F. Dietz, N. Tyutyulkov, C. Christen and K Liiders The magnetic field influence on bridge-assisted electron transfer, E.G. Petrov, LS. Tolokh, V.V. Gorbach and V. May

217 (1997) 29 217 (1997) 63 218 (1997) 13 218 (1997) 43 220 (1997) 249

Spin splittings Spin-correlated radical pairs in micellar systems: mechanism of CIDEP and the micelle size dependence, V.F. Tarasov, H. Yashiro, K Maeda, T. Azumi and LA Shkrob Observation of fine structure and hyperfine structure depolarization in the photofragment anisotropy in triplet H 2 , E.R. Wouters, L.D.A Siebbeles, KL. Reid, B. Buijsse and WJ. van der Zande

212 (1996) 353

218 (1997) 309

Optical activity Analysis of polarization effects in time-dependent Rayleigh light scattering by optically active molecules, K. Knast The influence of the interaction of carbonyl compounds with the matrix walls on phosphorescence of their solution in porous glasses, S.A Bagnich

213 (1996) 465 218 (1997) 277

Molecular interactions Ab initio calculation of three-body interaction in the (Hz)} trimer, P. Wind and L R¢eggen Generalized oscillator strengths for SF6 in the S 2p inner-shell region, Z. Felfli, 1. Fomunung, D. Bessis and AZ. Msezane Order parameters and carbon shielding tensors of bis-MSB from I3 C NMR measuremenlS in a nematic liquid crystal, R. Tarroni and C. Zannoni Photophysics and photochemistry of 12 (D, D') in rare gas clusters, K.L. Randall and DJ. Donaldson The ArCIF Van der Waals complex as an example of how atoms inside a molecule interact with those outside, FY. Naumkin Molecular dynamics study of infinitely dilute aqueous solutions of small biological molecules. Calculation of the static and dynamic properties of formaldehyde, S. Tolosa and J.A. Sanson A new method of calculating exponential operators for scattering problems, AV. Storozhev Rotational relaxation of nitrogen in helium, A.E. Belikov, KG. Sharafutdinov and AV. Storozhev IR induced isomerisation of HDO complexes: a method for the observation of FIR spectra of matrix isolated water complexes, A Engdahl and B. Nelander Vibrational dephasing in bromocyclohexane: how to separate contributions from different mechanisms, M. Kolodziejski, G. Waliszewska and H. Abramczyk Influence of pressure on the ferroelectric phase transition in a symmetrical polymerizable diacetylene crystal DNP, J. Even, M. Bertault, A. Girard and Y. Delugeard The photochemical reaction of excited acetophenone and benzaldehyde in the gas phase, Y. Matsushita, Y. Yamaguchi and T. Hikida

211 (1996) 179 211 (1996)325 211 (1996) 337 211 (1996)377 213 (1996) 33

213 (1996) 203 213 (1996) 313 213 (1996) 319 213 (1996) 333 213 (1996) 341 213 (1996) 357 213 (1996) 413

Subject index to volume 211-220

Specific and bulk solvent nonadditive contributions to the in-solution binding energy of ammonium-water clusters, J.e. Contador, M.A. Aguilar and F.J.O. del Valle Positron annihilation in and compressibility of liquid water + tert-butyl alcohol mixtures, A. Baranowski, K. Jerie and J. Glinski A new potential for the description of intermolecular interactions for rigid biaxial molecules, V.V. Ginzburg, M.A Glaser and N.A Clark Structures and potential energy surface of Faujasitic zeolite/water, J. Limtrakul, P. Treesukol, C. Ebner, R. Sansone and M. Probst On the 02(Vi) + 02( v") atmospheric reaction: a quasiclassical trajectory study, A.J.e. Varandas and W. Wang Interaction forces and energy transfer dynamics of LiH (I I +) and helium atoms. I. The ab initio evaluation of the lowest potential energy surface, F.A. Gianturco, S. Kumar, S.K, Pathak, M. Raimondi, M. Sironi, J. Gerratt and D.L. Cooper Sol-gel hosts doped with porphyrin derivatives. Part I. Spectroscopy, hole-burning and spectral diffusion, S.G. Kulikov, AV. Veret-Lemarinier, J.P. Galaup, F. Chaput and J.P. Boilot Ion pairing of bisdimethylamino pentamethinecyanine perchlorate and its consequences on the cis-trans photoisomerization dynamics, G. Ponterini Water structuring around complex solutes: theoretical modeling of a-D-glucopyranose, B. Leroux, H. Bizot, J.W. Brady and V. Tran Nonequilibrium distributions of rotational and vibrational energies in a free-jet expansion, H. Hulsman Infrared spectroscopy of aniline-X (X = N2 , CH 4 , CHF3 , CO) clusters and their corresponding cluster cations in the NH 2-stretching vibration region, RP. Schmid, P.K, Chowdhury, J. Miyawaki, F. Ito, K, Sugawara, T. Nakanaga, H. Takeo and H. Jones Intermolecular potential for phenol based on the test particle model, K, 3agarik and P. Asawakun Statistical mechanical treatment of reactive solvent extraction, M. Lukhezo, L.J. Dunne, B.G. Reuben and M.S. Verrall Collision-induced electronic transitions in complexes between benzene and molecular oxygen, B.F. Minaev, K,V. Mikkelsen and H. Agren J-aggregation and disaggregation of indocyanine green in water, F. Rotermund, R Weigand and A Penzkofer

Spectral bandshapes and intensities Maximum entropy imaging and quantum molecular timescale generalized Langevin equation theory, H.K, McDowell and AM. Clogston Absorption cross section measurements of water vapor in the wavelength region 120 to 188 nm, K, Yoshino, l.R. Esmond, W.H. Parkinson, K, Ito and T. Matsui Comments on the mode coupling theory for structural relaxation, W. Gotze and L. Sjogren The charge transfer state of excited bianthryl and a derivative: solvatochromism, emission CT spectra broadening in homogeneous solvents, H. Laguitton-Pasquier, R. Pansu, J.-P. Chauvet, A Collet, J. Faure and R Lapouyade Conformational studies of cyclopropylcarbonyl fluoride from temperature dependent Ff-IR spectra of xenon solutions, J.R. Durig, S. Shen, W. Zhao and L. Zhou Conformational studies of propenoyl chloride in liquid xenon from temperature dependent Ff-IR spectra, J.R Durig, Y. Li and Y. Jin

95

214 (1997) 113 214 (1997) 143 214 (1997) 253 215 (1997) 77 215 (1997) 167

215 (1997) 227

216 (1997) 147 216 (1997) 193 216 (1997) 349 217 (1997) 107

218 (1997) 291 219 (1997) 173 220 (1997) 53 220 (1997) 79 220 (1997) 385

211 (1996) 91 211 (1996) 387 212 (1996) 47

212 (1996) 437 213 (1996) 165 213 (1996) 181

Subjecl index 10 volume 2//-220

96

Interatomic potentials for XO + and B 31 states of intercombination cadmium line 326. I nm broadened by Ar pressure, G.D. Roston, M.S. Helmi and T Grycuk Exciton scattering, k selection rule, exciton bandwidth in pyrene microcrystallites, and lattice relaxation energy for the origin of V luminescence, Y. Oeda, O. Nishi, Y. Matsushima, K Mizuno, A.H. Matsui, M. Michinomae, M. Takeshima and T Goto A study of the I B 2 excited state geometries of the metal-metal quadruply bonded compounds M0 2 X 4 (PMe 3 )4 (X = CI, Br or 1), C Svendsen, M.J. Nielsen, O.S. Mortensen, S.J.R. Allers and R.J.H. Clark Matrix-isolated oxygen: line-shapes and transition probabilities of the b I X' l~, bI a 'Li g and a 'Li g --. X 3J.~ transitions, G. Tyczkowski, U. Schurath, M. Bodenbinder and H. Willner Photoabsorption and photoionization of the valence and inner (p 2p, 2s) shells of PF3 : absolute oscillator strengths and dipole-induced breakdown pathways, J.W. Au, G. Cooper and CE. Brion A quasi-atomic treatment of chemical and structural effects on K-shell excitations in hexagonal and cubic BN crystals, R. Franke, S. Bender, J. Hormes, A.A. Pavlychev and N.G. Fominych Quantitative studies of the photoabsorption and photoionization of PCI 3 in the valence and inner (P 2p,2s; CI 2p,2s) shell regions, J.W. Au and CE. Brion Absolute oscillator strengths for the valence-shell photoabsorption (2-200 eV) and the molecular and dissociative photoionization (I I-80 eV) of nitrogen dioxide, J. W. Au and CE. Brion Absolute photoabsorption and photoionization studies of methyl bromide using dipole electron impact and synchrotron radiation PES technique, TN. Olney, G. Cooper, W.F. Chan, G.R. Burton, CE. Brion and KH. Tan Symmetry adapted basis defect patterns for analysis of the effects of energy disorder on cyclic arrays of coupled chromophores, H.-M. Wu and G.J. Small Collision-induced electronic transitions in complexes between benzene and molecular oxygen, B.F. Minaev, KV. Mikkelsen and H. Agren

J.: --.

J.: --.

Coupling of electronic and nuclear motion Stochastic wave packet vs. direct density matrix solution of Liouville-von Neumann equations for photodesorption problems, P. Saalfrank An investigation of the photodissociation of molecular oxygen in the 75 to 85 nm region, A.L. Jones, A.J. Blake, L. Torop and D.G. McCoy Relaxation and trapping of excitons in J-aggregates of a thiacarbocynine dye, M.A. Drobizhev, M.N. Sapozhnikov, 1.G. Scheblykin, O.P. Vamavsky, M. Van der Auweraer and A.G. Vitukhnovsky A double origin proposed for the various Mossbauer spectra of biferrocenium salts: charge ordering and molecular bistability, F. Varret, J. Linares and K. Boukheddaden Influence of the molecular environment on the hyperfine interaction of III Cd ions in gaseous radioactive indium halides, C Ruth, M. Griindel, I. Eschrich, L Ziegeler and 1. Borchert Ab initio determination of quasi-diabatic states for multiple reaction pathways, P. Cattaneo and M. Persico The vibrational dependence of the hydrogen and oxygen nuclear magnetic shielding constants in OH- and OH-· H 2 0, S.P.A. Sauer, V. Spirko, 1. Paidarova and W.P. Kraemer

213 (1996) 365

213 (1996) 421

215 (1997) 89

215 (1997) 379

215 (1997) 397

216 (1997) 243 218 (1997) 87

218 (1997) 109

218 (1997) 127 218 (1997) 225 220 ( 1997) 79

211 (1996) 265 211 (1996) 291

211 (1996) 455 212 (1996) 487

213 (1996) 454 214 (1997) 49

214 (1997) 91

Subject index to volume 2//-220

Sol-gel hosts doped with porphyrin derivatives. Part I. Spectroscopy, hole-burning and spectral diffusion, S.G. Kulikov, A.V. Veret-Lemarinier, J.P. Galaup, F. Chaput and J.P. Boilot Inelastic neutron scattering studies of polyanilines and partially deuterated analogues, F. Fillaux, N. Leygue, R. Baddour-Hadjean, S. Parker, P. Colomban, A. Gruger, A. Regis and L.T. Yu Stimulated emission processes and strong field effects in ultrashort pulse excitation of a predissociative molecule, H. Dietz, A. Materny and V. Engel Femtosecond pump-probe spectroscopy of electron-transfer systems: a nonperturbative approach, B. Wolfseder, L. Seidner, G. Stock and W. Domcke

Energy transfer processes Selective rovibrational energy transfer: A classical trajectory study of collisional energy redistribution in methyl radical, G.S. Peng and R.P. Parson Correlated electronic potential-energy surfaces for proton interactions with N 2 , F.A. Gianturco, S. Kumar and F. Schneider The theory of Forster-type migration between clusters of strongly interacting molecules: application to light-harvesting complexes of purple bacteria, V.I. Novoderezhkin and A.P. Razjivin An improved classical approach quantum encounter treatment of collision-induced vibrational energy transfer. Application to He + CO (n; = 1,2), N. Markovic, T.D. Sewell, S. Nordholm and A. Miklavc Translational spectroscopy of H - produced by collision induced dissociation of H ~ on He, H. Martinez and A. Amaya-Tapia Reaction path Hamiltonian analysis of the dynamics for CI- + CH 3Br --4 ClCH 3 + BrSN2 nucleophilic substitution, H. Wang and W.L. Hase Development and interconnections of the temperatures in the translational, rotational and vibrational degrees of freedom in a potassium monomer/ dimer beam, A. Obrebski, T. Kaps and U. Cerny A partially ergodic multiple encounter theory of collisional energy transfer, L.E.B. Borjesson and S. Nordholm Modeling of optical pumping experiments in CO. I. Time-resolved experiments, P.I. Porshnev, H.L. Wallaart, M.-Y. Perrin and J.-P. Martin Fast translational thermalization of extreme disequilibrium induced by cluster impact, T. Raz and R.D. Levine A critical analysis of the two-dimensional atom ellipsoid model to study rotational collisions, J.e. Belchior and J.P. Braga Rotational relaxation of nitrogen in helium, A.E. Belikov, R.G. Sharafutdinov and A.V. Storozhev The anharmonic effect as originated from the asymmetry of a rotor. The case study of an asymmetric rotor coupled with a simple harmonic oscillator, G. Wu Dispersive transport of triplet excitation of benzaldehyde in solid ethanol solution, S.A. Bagnich Reported blue upconversion from U 4 + doped into CS 2 Zn::1 6 single crystals under green laser excitation, P.A. Tanner, 1. Dexpert-Ghys, Z.W. Pei and J. Lin Femtosecond dynamics of excited states in sexithiophene thin films, G. Klein, e. Jundt, B. Sipp, A.A. Villaeys, A. Boeglin, A. Yassar, G. Horowitz and F. Garnier

97

216 (1997) 147

216 (1997) 281 217 (1997) 249 217 (1997) 275

21 I (1996) 17 211 (1996) 33

211 (1996) 203

211 (1996) 277 211 (1996) 299 212 (1996) 247

212 (1996) 311 212 (1996) 393 213 (1996) III 213 (1996) 263 213 (1996) 303 213 (1996) 319 214 (1997) IS 214 (1997) 351 215 (1997) 125 215 (1997) 131

98

Subject index to volume 211-220

Interaction forces and energy transfer dynamics of LiH( I L +) and helium atoms. II. Rotationally inelastic collisions and excitation efficiency, F.A. Gianturco, S. Kumar, S.K. Pathak, M. Raimondi and M. Sironi Phonon termoactivated exciton tunneling in crystals of weak charge transfer complexes N-TCPA doped with Nd8-TCPA, V.V. Eremenko, VA Karachevtsev and V.V. Slavin Nonequilibrium distributions of rotational and vibrational energies in a free-jet expansion, H. Hulsman Lie algebraic method for vibrational and rotational transitions in inelastic collisions of a molecule with a solid surface, D. Guan, X. Yi, S. Ding and B. Yang The unusual effect of reagent vibrational excitation on the rates of endothermic and exothermic elementary combustion reactions, A. Lifshitz and H. Teitelbaum Strong-field approach to ultrafast pump-probe spectra: dye molecules in solution, D.H. Schirrmeister and V. May Scattering of large argon clusters from a Pt(l 11) surface with low collision velocities, M. Svanberg, N. Markovic and J.B.C. Pettersson Forward and reverse excitation energy transport in concentrated two-component systems, P. Bojarski and L. Kulak

Molecular photophysical processes Higher excited-state triplet-singlet intersystem crossing of some organic dyes, S. Reindl and A. Penzkofer Conformational flexibility of arginine-82 as source for the heterogeneous and pH-dependent kinetics of the primary proton transfer step in the bacteriorhodopsin photocycle: An electrostatic model, C. Schamagl and S.F. Fischer The charge transfer state of excited bianthryl and a derivative: solvatochromism, emission CT spectra broadening in homogeneous solvents, H. Laguitton-Pasquier, R. Pansu, J.-P. Chauvet, A. Collet, J. Faure and R Lapouyade Time-resolved spectroscopy of wild-type and mutant Green Fluorescent Proteins reveals excited state deprotonation consistent with fluorophore-protein interactions, H. Lossau, A. Kummer, R Heinecke, F. Pollinger-Dammer, C. Kompa, G. Bieser, T. Jonsson, C.M. Silva, M.M. Yang, D.C. Youvan and M.E. Michel-Beyerle Triplet quantum yield determination by picosecond laser double-pulse fluorescence excitation, S. Reindl and A. Penzkofer Ab initio determination of quasi-diabatic states for multiple reaction pathways, P. Cattaneo and M. Persico Ab initio calculations of electronic spectra of H 2 S and H 2 S 2 , M. Pericou-Cayere, M. Gelize and A. Dargelos Photophysics of 4-dimethylamino 4'-cyanostilbene and model compounds: dual excited states revealed by sub-picosecond transient absorption and Kerr ellipsometry, E. Abraham, J. Oberle, G. Jonusauskas, R. Lapouyade and C. Rulliere Spectroscopy and photophysics of C 60 H 18 and C 6o H 36 , R.V. Bensasson, TJ. Hill, EJ. Land, S. Leach, DJ. McGarvey, T.G. Truscott, J. Ebenhoch, M. Gerst and C. RUchardt Charge-transfer excitons in the dielectric theory of molecular crystals, RW. Munn Simultaneous control of selectivity and yield of molecular dissociation. Pulsed incoherent interference control, M. Shapiro, Z. Chen and P. Brumer Quantitative studies of the photoabsorption and photoionization of PCI 3 in the valence and inner (p 2p,2s; CI 2p,2s) shell regions, J.W. Au and C.E. Brion

215 (1997) 239 216 (1997) 217 (1997) 107 218 (1997) 219(1997)243 220 (1997) 220 (1997) 137 220 (1997) 323

211 (1996) 431

212 (1996) 231

212 (1996) 437

213 (1996) 213 (1996) 429 214 (1997) 49 214 (1997) 81

214 (1997) 409 215 (1997) III 215 (1997) 301 217 (I 997) 325 218 (1997) 87

Subject index to volume 211-220

Absolute oscillator strengths for the valence-shell photoabsorption (2-200 eV) and the molecular and dissociative photoionization (I 1-80 eV) of nitrogen dioxide, J.W. Au and C.E. Brion Application of the antibunching in dye fluorescence: measuring the excitation rates in solution, D. Mets, 1. Widengren and R. Rigler Photoionization/ dissociation of alkyl substituted benzene molecules using intense near-infrared radiation, M.I. DeWitt, D.W. Peters and R.I. Levis

Intramolecular dynamics Molecular dynamics simulations of cis-trans isomerization for a proline-containing tripeptide in solution, S.Z. Wan, C.X. Wang, Y.W. Xu and Y.Y. Shi Optical potential discrete variable representation method applied to the three-dimensional calculations of NeICI predissociation resonances, M. Monnerville and 1.-M. Robbe Dynamic effects in non-adiabatic charge transfer, E. Gudowska-Nowak Dielectric relaxation models applied to the dynamics of myoglobin as determined by Mossbauer spectroscopy, I. Chang, H. Hartmann, Yu. Krupyanskii, A. Zharikov and F. Parak Calculations on ground and excited state potential energy surfaces of floppy free radicals: HC 4 H 2 , HC 3 NH, and HC 3 0, H. Wang and A.L. Cooksy Fast translational thermalization of extreme disequilibrium induced by cluster impact, T. Raz and R.D. Levine An IPA procedure for bound-continuum diatomic transition intensities, V.S. Ivanov and V.B. Sovkov A weak-mode representation of floppy molecules. Part IV. Spectroscopic states of model HCN and CNH, X. Chapuisat, C. Saint-Espes, C. Zuhrt and L. Ziilicke A theory of coherent control of reaction dynamics based on the optimization of a linear time-invariant system with complex variables, Y. Watanabe, H. Umeda, Y. Ohtsuki, H. Kono and Y. Fujimura A simulation of ultrafast state-selective IR-laser-controlled isomerization of hydrogen cyanide based on global 3D ab initio potential and dipole surfaces, W. Jakubetz and B.L. Lan Molecular dynamics simulations of a potassium ion and an iodide ion in liquid ammonia, A. Tongraar, S. Hannongbua and B.M. Rode Ionization and fragmentation of OCS and CS 2 after photoexcitation around the sulfur 2p edge, U. Ankerhold, B. Esser and F. von Busch -radiationless transitions Optical potential discrete variable representation method applied to the three-dimensional calculations of NeICl predissociation resonances, M. Monnerville and J.-M. Robbe Vibron-mediated electronic relaxation in crystalline chlorine, D. Logan, c.A. Wight and VA Apkarian A contribution to the theory of OD EPR of spin-correlated radical pairs, K.M. Salikhov, Y. Sakaguchi and H. Hayashi Ionization and fragmentation of OCS and CS 2 after photoexcitation around the sulfur 2p edge, U. Ankerhold, B. Esser and F. von Busch -vibrational energy redistribution (including vibrational dissociation) Modeling of optical pumping experiments in CO. I. Time-resolved experiments, P.I. Porshnev, H.L. Wallaart, M.-Y. Perrin and J.-P. Martin

99

218 (1997) 109 218 (1997) 191 218 (1997) 211

211 (1996) 227 211 (1996) 249 212 (1996) 115

212 (1996) 221 213 (1996) 139 213 (1996) 263 213 (1996) 295 217 (1997) 43

217 (1997) 317

217 (1997) 375 219 (1997) 279 220 (1997) 393

211 (1996) 249 217 (1997) 99 220 (1997) 355 220 (1997) 393

213 (1996) 111

100

Subject index to volume 2 J1-220

On the 02( V') + 02( V") atmospheric reaction: a quasiclassical trajectory study, AJ.C. Varandas and W. Wang Control of tunneling processes with an external field in a four-level system: an analytic approach, R.I. Cukier, C. Denk and M. Morillo A full quantum study of the vibrational predissociation mechanisms in Ar; cluster, E. Buonomo, F.A Gianturco, M. Pilar de Lara, S. Miret-Artes, G. Delgado-Barrio and P. Villarreal Strong-field approach to ultrafast pump-probe spectra: dye molecules in solution, D.H. Schimneister and V. May

Luminescence spectra, yields and lifetimes The orientation of the transition dipole moments of TMA-DPH embedded in a poly(vinylalcohoO film, J.M. Muller, D.H. Harryvan, J.CD. Verhagen, G. van Ginkel and E.E. van Faassen Photophysics of 4-dimethylamino-4'-cyanostilbene and 4-azetidinyl-4'-cyanostilbene. Time-resolved fluorescence and trans-cis photoisomerisation, Yu.V. Il'ichev, W. Kuhnle and K.A. Zachariasse Time-resolved electroluminescence from single and bilayer LEDs based upon substituted poly-arylenevinylenes, Y.-H. Tak, H. Vestweber, H. Bassler, A Bleyer, R. Stockmann and H.-H. Horhold Time-resolved spectroscopy of wild-type and mutant Green Fluorescent Proteins reveals excited state deprotonation consistent with fluorophore-protein interactions, H. Lossau, A Kummer, R. Heinecke, F. Pollinger-Dammer, C Kompa, G. Bieser, T. Jonsson, CM. Silva, M.M. Yang, D.C Youvan and M.E. Michel-Beyerle Optical spectroscopy, fluorescence dynamics and crystal-field analysis of Er3+ in YV04 , J.A. Capobianco, P. Kabro, F.S. Ermeneux, R. Moncorge, M. Bettinelli and E. Cavalli Reported blue upconversion from U4 + doped into Cs 2 ZrCI 6 single crystals under green laser excitation, P.A Tanner, J. Oexpert-Ghys, Z.W. Pei and 1. Lin Evaluation of luminescence decay measurements probed on pure and doped PtOV) hexahalogeno complexes I. Exponential rise time and decay curves applying various statistical tests, I. Biertumpel and H.-H. Schmidtke Phonon termoactivated exciton tunneling in crystals of weak charge transfer complexes N-TCPA doped with Nd8-TCPA, V.V. Eremenko, V.A. Karachevtsev and V.V. Slavin Sol-gel hosts doped with porphyrin derivatives. Part II. Site selection spectra and vibronic analysis, S.M. Arabei, S.G. Kulikov, AV. Veret-Lemarinier and J.P. Galaup Vibron-mediated electronic relaxation in crystalline chlorine, O. Logan, CA. Wight and V.A Apkarian Non-exponential decays of the SI vibronic levels of acetaldehyde, S.-H. Lee and I.-C Chen Coherence loss processes Kohlrausch relaxation in electronic and molecular glasses, 1.C Phillips Control of tunneling processes with an external field in a four-level system: an analytic approach, R.I. Cukier, C. Denk and M. Morillo Vibronic and vibrational coherence and relaxation dynamics of molecules in condensed phases, M. Hayashi, T.-S. Yang, A Mebel, C.H. Chang, S.H. Lin and N.F. Scherer A contribution to the theory of 00 EPR of spin-correlated radical pairs, K.M. Salikhov, Y. Sakaguchi and H. Hayashi

215 (1997) 167 217 (1997) 179

218 (1997) 71 220 (1997)

211 (1996) 413

211 (1996) 441

212 (1996) 471

213 (1996) 214 (1997) 329 215 (1997) 125

215 (1997) 271 216 (1997) 216 (1997) 163 217 (1997) 99 220 (1997) l75

212 (1996) 41 217 (1997) 179 217 (1997) 259 220 (1997) 355

Subject index to volume 211-220

Non-linear responses (including optical) Rydberg basis set effects on ab initio second hyperpolarizabilities of H 2 , C 6 H 6 and CS 2 molecules, T. Hamada Dissociation constants of some substituted cinnamic acids in protic solvents: measurements by hyper-Rayleigh scattering and potentiometric techniques, P.c. Ray, N. Munichandraiah and P.K. Das Exploratory Pariser-Parr-Pople investigation of the static first hyperpolarizability of polymethineimine chains, D. Jacquemin, B. Champagne, J.-M. Andre and B. Kirtman Second harmonic generation in partially ordered media and at interfaces: analysis of dynamical and orientational factors, D.L. Andrews and I.D. Hands Time resolved spectroscopy of nonlinear solvation with pulses longer than electronic dephasing, B.D. Fainberg and B. Zolotov Increase and saturation of the third order hyperpolarizabilities in homologous series of symmetric cyanines, W. Wemcke, M. Pfeiffer, T. Johr, A. Lau, W. Grahn, H.-H. Johannes and L. Dahne Nuclear relaxation and vibrational contributions to the static electrical properties of polyatomic molecules: beyond the Hartree-Fock approximation, J.M. Luis, J. Marti, M. Duran and J.L. Andres Theoretical study of multiple high-order harmonic generation by intense ultrashort pulsed laser fields: A new generalized pseudospectral time-dependent method, X.-M. Tong and S.-I. Chu Dissipative tunneling with periodic polychromatic driving: Exact results and tractable approximations, M. Grifoni, L. Hartmann and P. Hanggi Photodissociation of Art in strong laser fields, P. Schwendner, F. Seyl and R. Schinke Enhanced nonlinear optical properties and thermal stability of donor-acceptor substituted oligothiophenes, F. Steybe, F. Effenberger, S. Beckmann, P. Kramer, c. Glania and R. Wortmann Two-photon absorption in non-centrosymmetric dyes, S. Delysse, P. Raimond and J.-M. Nunzi Line broadening in a polymer glass as investigated by stimulated photon echo spectroscopy: spectral diffusion versus heating effects, S.J. Zilker and D. Haarer

Multiphoton phenomena The van der Waals vibrational frequencies of the aniline-carbon monoxide complex in its SI state, J.-G. Jackel, R. Schmid, H. Jones, T. Nakanaga and H. Takeo A quantal entropy signature for the dynamics of pure states: Studies on some model problems, P. Sarkar, S. Adhikari and S.P. Bhattacharyya Theoretical study of multiple high-order harmonic generation by intense ultrashort pulsed laser fields: A new generalized pseudospectral time-dependent method, X.-M. Tong and S.-I. Chu Femtosecond quantum dynamics of photoassociation reactions: the exciplex formation of mercury, P. Backhaus and B. Schmidt Phase-space localization and level spacing distributions for a driven rotor with mixed regular/chaotic dynamics, T. Gorin, H.J. Korsch and B. Mirbach Ultracold atoms in modulated standing light waves, K. Drese and M. Holthaus Photodissociation of Art in strong laser fields, P. Schwendner, F. Seyl and R. Schinke Optimal pump-dump control, Y.J. Yan, J. Che and J.L. Krause

101

211 (1996) 171

211 (1996) 499 213 (1996) 217 213 (1996) 277 216 (1997)

7

216 (1997) 337

217 (1997) 29

217 (1997) 119 217 (1997) 167 217 (1997) 233

219 (1997) 317 219 (1997) 341 220 (1997) 167

215 (1997) 291 215 (1997) 309

217 (1997) 119 217 (1997) 131 217 (1997) 217 (1997) 217 (1997) 217 (1997)

145 201 233 297

102

Subject index to volume 21 J- 220

Theory of ultrafast laser control for state-selective dynamics of diatomic molecules in the ground electronic state: vibrational excitation, dissociation, spatial squeezing and association, M.V. Korolkov, 1. Manz and G.K. Paramonov Reactions (including dissociation) Experimental and theoretical study of the recombination reaction of FC( 0)0 radicals, A.E. Croce, C.J. Cobos and E. Castellano Dynamics of the vibrational mode-specific proton transfer reaction NH ~ ( v I) + NH) ~ NH 2 + NH;: ab initio MO and classical trajectory studies, H. Tachikawa Ab initio study of unimolecular pyrolysis mechanisms of dithioformic acid, X. Xie, Y. Tao, H. Cao and W. Duang Theoretical study of the reaction of hydrogen with nitric acid: ab initio MO and TST/RRKM calculations, J.W. Boughton, S. Kristyan and M.e. Lin The effect of middle range forces on the rate constant of a fast chemical reaction within adiabatic capture theory, A. Beghin and T. Stoecklin On the determination of Dg(CaBr) from translational energy threshold measurements, M. Garay Salazar, J.M. Orea and A. Gonzalez Urena Infrared bands of mass-selected carbon chains C n (n = 8-12) and C~ (n = 5-10, 12) in neon matrices, P. Freivogel, M. Grutter, D. Forney and J.P. Maier Theory of ultrafast laser control for state-selective dynamics of diatomic molecules in the ground electronic state: vibrational excitation, dissociation, spatial squeezing and association, M.V. Korolkov, J. Manz and G.K. Paramonov Temperature of neutral clusters produced in a seeded molecular beam, and energy transfer during the photoionization process, Ph. Dugourd, D. Rayane, R. Antoine and M. Broyer Calculated thermodynamics of reactions involving NO+· X complexes (where X = H 20, N 2 and CO 2 ), P. Mack, J.M. Dyke and T.G. Wright Theoretical study on adsorption and proton exchange reaction of H 2 0 on H-form zeolite, N. Tajima, T. Taketsugu and K. Hirao A three-body calculation for collision-induced dissociation, K. Sakai Reaction dynamics of the Cae D 2 , 3 pJ ) + CH 31 ~ Cal' + CH 3 system: chemiluminescence, energy disposal and product polarization, J.M. Orea, A. Laplaza, e.A. Rinaldi, G. Tardajos and A. Gonzalez Urena A contribution to the theory of OD EPR of spin-correlated radical pairs, K.M. Salikhov, Y. Sakaguchi and H. Hayashi -gas phase Experimental and theoretical study of the recombination reaction of FC(O)O radicals, A.E. Croce, C.J. Cobos and E. Castellano Dynamics of the vibrational mode-specific proton transfer reaction NH; ( v I) + NH 3 ~ NH 2 + NH;: ab initio MO and classical trajectory studies, H. Tachikawa Pressure effects on the CI 2(D'-X) transition at 258 nm, 1.8. Nee and S. Hubinger Comment on "energy partitioning in photodissociation of methyl, ethyl, and n-propyl iodides at 304 nm", S.W. North, T.J. Sears, G.E. Hall and T. Suzuki Reaction path Hamiltonian analysis of the dynamics for Cl- + CH)Br ~ CICH 3 + BrS N 2 nucleophilic substitution, H. Wang and W.L. Hase A theoretical test of the pairwise energy model for reactive cross sections, J.-B. Song and E.A. Gislason

217 (1997) 341

211 (1996) 215 211 (1996}305 213 (1996) 133 214 (1997) 219 215 (1997) 261 216 (1997) 365 216 (1997) 401

217 (1997) 341 218 (1997) 163 218 (1997) 243 218 (1997) 257 220 (I997) 115

220 (1997) 337 220 ( 1997) 355

211 (1996) 215 211 (1996) 305 211 (1996) 403 211 (1996) 515 212 (1996) 247 212 (1996) 259

103

Subject index to volume 211-220

Ab initio study of unimolecular pyrolysis mechanisms of dithioformic acid, X. Xie, Y. Tao, H. Cao and W. Duang The photochemical reaction of excited acetophenone and benzaldehyde in the gas phase, Y. Matsushita, Y. Yamaguchi and T. Hikida Application of the pairwise energy model to various isotopic variations of the H + H 2 reaction, J.-B. Song and E.A. Gislason The formation and dissociation of the dinitrogen pentoxide dication, e.S.S. O'Connor, N.e. Jones and S.D. Price A Ml/lller-Plesset perturbation theory and coupled-cluster study of the reaction enthalpies and barrier heights for the FCO + H 2 ---) HFCO + H abstraction reaction, J.S. Francisco Theoretical study of the reaction of hydrogen with nitric acid: ab initio MO and TST/RRKM calculations, J.W. Boughton, S. Kristyan and M.e. Lin v') + 02( v") atmospheric reaction: a quasiclassical trajectory study, A.J.e. On the Varandas and W. Wang The effect of middle range forces on the rate constant of a fast chemical reaction within adiabatic capture theory, A. Beghin and T. Stoecklin Fine-structure dependence of the Af* 2) + N2 (X) excitation transfer process, E.J.D. Vredenbregt, W.J.M. Rooyakkers, R.J.F. van Gerwen, P.J. van de Hurk and H.e.W. Beijerinck Ar * 2 )/Kr * a,2) + N 2 (X) excitation transfer collisions: final state rotational alignment, E.J.D. Vredenbregt, W.J.M. Rooyakkers, M.J.M. Vugts, P.J. van de Hurk and H.e.W. Beijerinck Isotope effects on the rate constants for the processes O 2 + a ---) a + O 2 and O 2 + a + Ar ---) 0 3 + Ar. On a modified ground-state potential energy surface for ozone, A Gross and G.D. Billing Theory of ultrafast laser control for state-selective dynamics of diatomic molecules in the ground electronic state: vibrational excitation, dissociation, spatial squeezing and association, M.V. Korolkov, 1. Manz and G.K. Paramonov Photodissociation spectroscopy of ICN in the vacuum ultraviolet region, K. Kanda, S. Katsumata, T. Nagata, T. Kondow, A. Hiraya, K. Tabayashi and K. Shobatake The unusual effect of reagent vibrational excitation on the rates of endothermic and exothermic elementary combustion reactions, A Lifshitz and H. Teitelbaum Diatomics-in-molecules study of the ground and excited states of H], AK. Belyaev and AS. Tiukanov Nonradiative processes and infrared emission in matrix isolated ND, N. Caspary, B.E. Wurfel, AM. Smith and V.E. Bondybey

0i

epa

ep

ep

-condensed phase A Kramers reaction rate theory for electrochemical ion transfer reactions, M.T.M. Koper and W. Schmickler Isotope effects in the photochemical formation of HHgCH 3 and DHgCD 3 in nitrogen and methane matrices, N. Legay-Sommaire and F. Legay Dissociation constants of some substituted cinnamic acids in protic solvents: measurements by hyper-Rayleigh scattering and potentiometric techniques, P.e. Ray, N. Munichandraiah and P.K. Das Phenomenological interpretation of kinetics with time-dependent specific reaction rates, A Plonka and A Paszkiewicz

213 (1996) 133 213 (1996) 413 214 (1997) 23 214 (1997) 131 214 (1997) 213 214 (1997) 219 215 (1997) 167 215 (1997) 261

216 (1997) 259

216 (1997) 273

217 (1997)

217 (1997) 341 218 (1997) 199 219 (1997) 243 220 (1997) 43 220 (1997) 241

211 (1996) 123 211 (1996) 367

211 (1996) 499 212 (1996)

104

Subject index to volume 211-220

Condition for fractional-power viscosity dependence of the average rate constant of solution reactions influenced by slow solvent fluctuations, H. Sumi Irreversible random transition theory as applied to rate processes in condensed media: Transient effects of constrained configuration rearrangements in complex systems, Yu.A. Berlin An analytical study of the Berezhkovskii-Pollak-Zitserman theory of rate processes in the critical region. II. The critical coupling plane, S. Singh and G.W. Robinson A temperature-dependent effective potential explains CO binding to myoglobin, N. Agmon and G.M. Sastry Electronic charge density transfer along a constrained reaction path from a hydronium ion configuration into a hydrogen chemisorption state on Cu(IOO), An.M. Kuznetsov and W. Lorenz Charge transfer dynamics of electrochemical dark and photoprocesses on semiconductors. Part I: Manifold of stationarity conditions of hydrogen reaction emerging from dark to photoregimes of n-materials, and dark admittance evaluation, W. Lorenz, M. Handschuh and F. Bergmann Charge transfer dynamics of electrochemical dark and photoprocesses on semiconductors. Part II: Fermi energy characteristics and photoadmittance functions, F Bergmann, M. Handschuh and W. Lorenz Methyl radicals migration in glassy ethanol-I,2ds at 90 K as studied by hydrogen atom abstraction from the additives, V.L. Vyazovkin and V.A. Tolkatchev Phenomenological model for reaction kinetics coupled to a relaxing environment, Y.A. Berlin, A.L. Burin and S.F Fischer Quantum effects in adiabatic electrochemical electron-transfer reactions, M.T.M. Koper, J.-H. Mohr and W. Schmickler Two-level system with noise: Blue's function approach, E. Gudowska-Nowak, G. Papp and J. Brickmann

-photochemical Photophysics and photochemistry of 12 (D, Dr) in rare gas clusters, K.L. Randall and D.J. Donaldson Photophysics of 4-dimethylamino-4'-cyanostilbene and 4-azetidiny1-4'-cyanostilbene. Time-resolved fluorescence and trans-cis photoisomerisation, Yu.v. Il'ichev, W. Kuhnle and K.A. Zachariasse Dynamics of geminate charge separation in liquid methylcyclohexane studied by the photoassisted ion pair separation technique, FF Brazgun, V.A. Nadtochenko, LV. Rubtsov and L.V. Lukin Comment on "energy partitioning in photodissociation of methyl, ethyl, and n-propyl iodides at 304 nm", S.W. North, T.J. Sears, G.E. Hall and T. Suzuki Remote ionization and recombination through the multichannel electron transfer, A.L Burshtein and P.A. Frantsuzov Photodissociation dynamics of HN 3(DN 3 ) + hll ~ H(D) + N3 , M. Lock, K.-H. Gericke and F.J. Comes Ab initio determination of quasi-diabatic states for multiple reaction pathways, P. Cattaneo and M. Persico A spectroscopic and photoisomerisation study of bromine dioxides in argon matrices, J. Kolm, A. Engdahl, O. Schrems and B. Nelander

212 (1996)

9

212 (1996) 29 212 (1996) 125 212 (1996) 207

214 (1997) 243

215 (1997) 139

215 (1997) 157 216 (1997) 135 220 (1997) 25 220 (1997) 95 220 (1997) 125

211 (1996) 377

21 I (1996) 441

211 (1996) 469 21 1(1996) 515 212 (1996) 137 213 (1996) 385 214(1997) 49 214 (1997) 313

SubjecI index 10 volume 211-220

Factors affecting adiabaticity in bimolecular photoinduced electron transfer reaction between anthracene derivatives and organic donors, X. Allonas and P. Jacques Structure and selective visible photodissociation of the 03:Br2 and 03:BrCI complexes: an infrared matrix isolation and ab initio study, M. Bahou, L. Schriver-Mazzuoli, A. Schriver and P. Chaquin Optimal pump-dump control, Y.I. Van, 1. Che and J.L. Krause

Tunnelling Control of tunneling reactions with an external field in a four-level system: A general Redfield approach, M. Morillo, C. Denk and R.I. Cukier Time evolution of the rate constant for the tunneling reaction H 2 + D ~ H + HD in solid D 2-H 2 mixtures at very low temperature, T. Kumada, Y. Aratono and T. Miyazaki Laser-induced fluorescence excitation spectroscopy of jet-cooled tropolone-carbon monoxide van der Waals complexes, H.K. Sinha, V.I. MacKenzie and R.P. Steer An ab initio treatment of the Norrish type-II process in pentane-2-one and the role of tunneling of hydrogen, V. Sreedhara Rao and A.K. Chandra Tunnelling of the one-dimensional rotor NH 3D+ in the NH 4 CI04 and NH 4 PF6 lattices, H.G. Buttner, G.I. Kearley and B. Frick The origin and temperature dependence of the single particle, methyl-group rotational potential in acetic acid, M.R. Johnson, M. Neumann, B. Nicolai, P. Smith and G.I. Kearley Dynamical simulation of the driven spin-boson system: The influence of interblip correlations, M. Winterstetter and U. Weiss Dissipative tunneling with periodic polychromatic driving: Exact results and tractable approximations, M. Grifoni, L. Hartmann and P. Hanggi Control of tunneling processes with an external field in a four-level system: an analytic approach, R.I. Cukier, C. Denk and M. Morillo Dynamical resonance and tunneling in a driven system with periodic potential, E.M. zanardi and J.M. Gomez Llorente A theory of coherent control of reaction dynamics based on the optimization of a linear time-invariant system with complex variables, Y. Watanabe, H. Umeda, Y. Ohtsuki, H. Kono and Y. Fujimura Tunneling splitting in vibrational spectra of non-rigid molecules. I. Perturbative instanton approach, V.A. Benderskii, E.V. Vetoshkin, S.Yu. Grebenshchikov, L. von Laue and H.P. Trommsdorff Tunneling splitting in vibrational spectra of non-rigid molecules. II. Excited states, V.A. Benderskii, E.V. Vetoshkin, L. von Laue and H.P. Trommsdorff Quantum effects in adiabatic electrochemical electron-transfer reactions, M.T.M. Koper, l-H. Mohr and W. Schmickler Line broadening in a polymer glass as investigated by stimulated photon echo spectroscopy: spectral diffusion versus heating effects, S.J. Zilker and D. Haarer The tunneling frequencies of the isotopic forms of methane in rare-gas solids, D. Smith Electron transfer Solvent reorganization energy of electron transfer in weakly polar solvents, D.V. Matyushov A Kramers reaction rate theory for electrochemical ion transfer reactions, M.T.M. Koper and W. Schmickler The disperse kinetics of intercolumnar charge recombination in pulse-irradiated mesomorphic phthalocyanines, J.M. Warman, P.G. Schouten, G.H. Gelinck and M.P. de Haas

105

215 (1997) 371

216 (1997) 105 217 (1997) 297

212 (1996) 157 212 (1996) 177 213 (1996) 397 214 (1997) 103 214 (1997) 425

215 (1997) 343 217 (1997) 155 217 (1997) 167 217 (1997) 179 217 (1997) 221

217 (1997) 317

219 (1997) 119 219 (1997) 143 220 (1997) 95 220 (1997) 167 220 (1997) 279 211 (1996) 47 211 (1996) 123 212 (1996) 183

106

Subject index to volume 211-220

Competitive electron transfers in model triad systems: continuum model approach, T. Motylewski, J. Najbar and M. Tachiya Spin-spin interactions in the reduced [Fe 6 S 6 ]5+ cluster, M. Czerwinski and 1. D~browski Correlation effects in the long-range coupling between acetylenic 1T-electrons in a series of a,w-diethynyl[n)staffanes (n = 1-5), M. Braga The photochemical reaction of excited acetophenone and benzaldehyde in the gas phase, Y. Matsushita, Y. Yamaguchi and T. Hikida Influence of the molecular environment on the hyperfine interaction of 111 Cd ions in gaseous radioactive indium halides, C. Ruth, M. Griindel, I. Eschrich, L. Ziegeler and I. Borchert A study of solvent dynamical effects on nonadiabatic electron transfer reaction rates, A. Samanta and S.K. Ghosh Common features of various mechanisms of electron transfer across a 4,4'-bipyridine bridge: a theoretical evaluation of resonance structures of the transition state, P. Karafiloglou Electron attachment products of methylene chloride in solid argon: an experimental and quantum chemical IR spectroscopic study, A. Richter, H. Meyer, T. Kausche, T. Miiller, W. Sporleder and A. Schweig Double exchange in distorted trimeric mixed-valence clusters, M.1. Belinsky Calculation of triplet-singlet transition efficiencies controlled by relative rotational diffusion of the two constituents of covalently linked radical pairs, K.M. Salikhov, 1. Schliipmann, M. Plato and K. Mobius Single electron capture in low-energy Kr+-He collisions, H. Martinez and J.M. Hernandez Calculation of the solvent reorganization free energy in the dielectric cavity model, E.L. Mertz, E.D. German and A. M. Kuznetsov Factors affecting adiabaticity in bimolecular photoinduced electron transfer reaction between anthracene derivatives and organic donors, X. AlJonas and P. Jacques Fast interactions between Rh6G and dGTP in water studied by fluorescence correlation spectroscopy, J. Widengren, 1. Dapprich and R. Rigler Dynamical simulation of the driven spin-boson system: The influence of interblip correlations, M. Winterstetter and U. Weiss Dissipative tunneling with periodic polychromatic driving: Exact results and tractable approximations, M. Grifoni, L. Hartmann and P. Hanggi Control of tunneling processes with an external field in a four-level system: an analytic approach, R.I. Cukier, C. Denk and M. Morillo Dynamical resonance and tunneling in a driven system with periodic potential, E.M. Zanardi and J.M. Gomez Llorente Femtosecond pump-probe spectroscopy of electron-transfer systems: a nonperturbative approach, B. Wolfseder, L. Seidner, G. Stock and W. Domcke The electronic structure of 4-(N,N-dimethylamino)-4'-cyano-biphenyl and its planar and twisted model compounds, M. Maus and W. Rettig The deactivation of singlet excited all-trans-I ,6-diphenylhexa-1 ,3,5-triene by charge transfer processes. 2. Formation and dynamics of charge transfer (CT) intermediates, F. Schael, J. Kiister and H.-G. Lohmannsroben Hole transport in vapor deposited enamines and enamine doped polymers, J.A. Sinicropi, l.R. Cowdery-Corvan, E.H. Magin and P.M. Borsenberger Double exchange in tetrameric tetrahedral clusters with two-electron transfer: magnetic properties, V.P. Coropceanu, F.G. Paladi, S.1. Boldyrev and V.I. Gamurar

212 (1996) 193 213 (1996) 45 213 (1996) 159 213 (1996) 413

213 (1996) 454 214 (J997) 61

214 (1997) 171

214 (1997) 32] 215 (J997) 7

2] 5 (1997) 23 215 (1997) 285 215 (J997) 355 215 (J997) 371 216 (1 997) 417 217 (1997) 155 2]7 (1997) 167 217 (J997) 179 217 (J997) 22] 217 (J997) 275 218 (1997) 151

218 (1997) 175 218 (1997) 33 I 219 (1997)

Subject index to volume 211-220

Quantum effects in adiabatic electrochemical electron-transfer reactions, M.T.M. Koper, J.-H. Mohr and W. Schmickler The magnetic field influence on bridge-assisted electron transfer, E.G. Petrov, I.S. Tolokh, V.V. Gorbach and V. May Positron annihilation Positronium dynamics in aqueous solutions of ionic surfactants, G. Consolati and P. Quasso Positron annihilation in and compressibility of liquid water + tert-butyl alcohol mixtures, A. Baranowski, K. Jerie and J. Glinski Effects of CCl 4 on positronium formation in pure isooctane and in AOT/water/isooctane microemulsions, M.P. Ferreira Marques, H.D. Burrows, M. da Gra\a Miguel, A.P. de Lima, e. Lopes Gil and G. Duplatre Ionization (including Rydberg states) The dissociation energies of FeF, FeCI, and FeBr and their positive ions, e.W. Bauschlicher Jr. Dynamics of geminate charge separation in liquid methylcyciohexane studied by the photoassisted ion pair separation technique, F.F. Brazgun, V.A. Nadtochenko, LV. Rubtsov and L.V. Lukin Ab initio study on the electronic structure of the 4 2 L + and 5 2 L + excited states of CO +, N. Honjou and E. Miyoshi High-resolution threshold photoelectron spectroscopy of molecular fluorine, AJ. Cormack, A.I. Yencha, R.I. Donovan, K.P. Lawley, A Hopkirk and G.e. King Experimental and theoretical study of the CIs shakeup spectra from biphenyl and pterphenyl, e. Enkvist, S. Lunell and S. Svensson The formation and dissociation of the dinitrogen pentoxide dication, e.S.S. O'Connor, N.e. Jones and S.D. Price Polarization propagator study of electronic excitation in key heterocyclic moleculesI. Pyrrole, AB. Trofimov and 1. Schirmer The molecular and electronic states of 1,2,4,5-tetrazine studied by VUV absorption, near-threshold electron energy-loss spectroscopy and ab initio multi-reference configuration interaction studies, M.H. Palmer, H. McNab, D. Reed, A. Pollacchi, I.e. Walker, M.P. Guest and M.R.P. Siggel The use of threshold photoelectron - fluorescence photon coincidence spectroscopy for the measurement of the radiative lifetimes of emitting states of CF3 X+ (X = F, H, Cl, Br) ions, H. Biehl, K.I. Boyle, D.M. Smith and R.P. Tuckett Vacuum-UV fluorescence spectroscopy of CF3 X (X = F,H,Cl,Br) in the range 10-30 eV, H. Biehl, K.I. Boyle, R.P. Tuckett, H. Baumgartel and H.W. Jochims The van der Waals vibrational frequencies of the aniline-carbon monoxide complex in its S1 state, J.-G. Jackel, R. Schmid, H. Jones, T. Nakanaga and H. Takeo Accurate density-functional calculation of core-electron binding energies with a scaled polarized triple-zeta basis set. (II). Confirmation with a total of seventy-six cases, M. Pulfer, e.-H. Hu and D.P. Chong Accurate density-functional calculation of core-electron binding energies with a scaled polarized triple-zeta basis set. (III). Extension to open-shell molecules, e.-H. Hu and D.P. Chong Threshold photoelectron spectroscopy of SF6 , A.I. Yencha, D.B. Thompson, A.I. Cormack, D.R. Cooper, M. Zubek, P. Bolognesi and G.e. King

107

220 (1997) 95 220 (1997) 249

213 (1996) 449 214 (]997) 143

220 (1997) 233

211 (1996) 163

211 (1996) 469 212 (1996) 363 213 (1996) 439 214 (1997) 123 214 (1997) 131 214 (1997) 153

214 (1997) 191

214 (1997) 357 214 (1997) 367 215 (1997) 291

216(1997) 91

216 (1997) 99 216 (1997) 227

108

Subject index to volume 211-220

Temperature of neutral clusters produced in a seeded molecular beam, and energy transfer during the photoionization process, Ph. Dugourd, D. Rayane, R. Antoine and M. Broyer Photoionization/dissociation of alkyl substituted benzene molecules using intense near-infrared radiation, M.J. DeWitt, D.W. Peters and R.J. Levis Highly correlated QDPT-CI calculations of valence and core photoelectron spectra of Ne, G. Fronzoni and P. Decleva The photoabsorption spectrum of vinylchloride (C z H 3 CI) in the 8-12 eV range, R Locht, B. Leyh, K. Hottmann and H. Baumgiirtel The He(I), threshold photoelectron and constant ion state spectroscopy of vinylchloride (C z H 3 CI), R Locht, B. Leyh, K. Hottmann and H. Baumgiirtel

Molecular motion (including diffusive) Monte Carlo simulation studies on the validity of the Gram-Charlier calculations of velocity distributions of Na + swarm in neon gas, P.P. Ong and M.-M. Li Magnetic field dependent yield of geminate radical pair recombination in micelles. Effect of intraradical spin lattice relaxation, J.S. Jl/lrgensen, J.B. Pedersen and A.1. Shushin Subpicosecond studies of the solvation dynamics of fluoroprobe in liquid solution, E.R. Middelhoek, H. Zhang, J.W. Verhoeven and M. Glasbeek Condition for fractional-power viscosity dependence of the average rate constant of solution reactions influenced by slow solvent fluctuations, H. Sumi Recovering boundaries for partly diffusion-controlled reaction kinetics, N.J.B. Green, RD. Spencer-Smith and A.G. Rickerby Peculiarities of the diffusion of silver and sodium ions in phosphate glasses with a high content of NazO, V.M. Syutkin and V.A. Tolkatchev Conformational flexibility of arginine-82 as source for the heterogeneous and pH-dependent kinetics of the primary proton transfer step in the bacteriorhodopsin photocycle: An electrostatic model, C. Scharnagl and S.F. Fischer Reversible conformation change of free radicals in X-irradiated glutarimide single crystals studied by ENDOR, N.A. Salih, 0.1. Eid, N.P. Benetis, M. Lindgren, A. Lund and E. Sagstuen Second harmonic generation in partially ordered media and at interfaces: analysis of dynamical and orientational factors, D.L. Andrews and I.D. Hands Analysis of polarization effects in time-dependent Rayleigh light scattering by optically active molecules, K. Knast Water residence times around copper plastocyanin: a molecular dynamics simulation approach, C. Rocchi, A.R. Bizzarri and S. Cannistraro Influence of rotational diffusion on the electric field induced effect on the fluorescence spectrum of diluted solutions. I. Theory and numerical simulations, H. Reis and W. Baumann Methyl radicals migration in glassy ethanol-l ,2 d s at 90 K as studied by hydrogen atom abstraction from the additives, V.L. Vyazovkin and V.A. Tolkatchev Stimulated emission processes and strong field effects in ultrashort pulse excitation of a predissociative molecule, H. Dietz, A. Matemy and V. Engel Optimal pump-dump control, Y.J. Yan, J. Che and J.L. Krause Phenomenological model for reaction kinetics coupled to a relaxing environment, Y.A. Berlin, A.L. Burin and S.F. Fischer The tunneling frequencies of the isotopic forms of methane in rare-gas solids, D. Smith

218 (J997) 163 218 (J997) 211 220 (1997) 15 220 (J 997) 207 220 (J 997) 217

211 (J996) 115 211 (J996) 235 211 (1996) 489 212 (J996)

9

212 (I996) 99 212 (I996) 149

212 (1996) 231

212 (J996) 409 213 (1996) 277 213 (J996) 465 214 (1997) 261

214 (1997) 383 216 (1997) 135 217 (J997) 249 217 (J997) 297 220 (J 997) 25 220 (1997) 279

109

Subject index to volume 2//-220

Isotopic effects Isotope effects in the photochemical formation of HHgCH 3 and DHgCD 3 in nitrogen and methane matrices, N. Legay-Sommaire and F. Legay Tunnelling of the one-dimensional rotor NH 3 D+ in the NH 4 C104 and NH 4 PF6 lattices, H.G. BUttner, GJ. Kearley and B. Frick Inelastic neutron scattering studies of polyanilines and partially deuterated analogues, F. Fillaux, N. Leygue, R Baddour-Hadjean, S. Parker, P. Colomban, A. Gruger, A. Regis and L.T. Yu A photoabsorption, photodissociation and photoelectron spectroscopy study of C 2 H 4 and C 2 D4 , D.M.P. Holland, D.A. Shaw, M.A. Hayes, L.G. Shpinkova, E.E. Rennie, L. Karlsson, P. Baltzer and B. Wannberg Fluctuations and noise Condition for fractional-power viscosity dependence of the average rate constant of solution reactions influenced by slow solvent fluctuations, H. Sumi Dissipation and fluctuation for a randomly kicked particle: Normal and anomalous diffusion, E. Barkai and V. Fleurov Comparison of the numerical matrix multiplication and quantum Monte Carlo simulations: calculation of spatial delocalization parameters, RG. Schmidt, M.e. Bohm and 1. Brickmann A quantal entropy signature for the dynamics of pure states: Studies on some model problems, P. Sarkar, S. Adhikari and S.P. Bhattacharyya Fast interactions between Rh6G and dGTP in water studied by fluorescence correlation spectroscopy, J. Widengren, J. Dapprich and R. Rigler Application of the antibunching in dye fluorescence: measuring the excitation rates in solution, D. Mets, J. Widengren and R. Rigler Collective motion and excitations Relaxation and trapping of excitons in J-aggregates of a thiacarbocynine dye, M.A. Drobizhev, M.N. Sapozhnikov, I.G. Scheblykin, O.P. Vamavsky, M. Van der Auweraer and A.G. Vitukhnovsky Irreversible random transition theory as applied to rate processes in condensed media: Transient effects of constrained configuration rearrangements in complex systems, Yu.A. Berlin Vibron-mediated electronic relaxation in crystalline chlorine, D. Logan, e.A. Wight and V.A. Apkarian Surface effects and catalysis Stochastic wave packet vs. direct density matrix solution of Liouville-von Neumann equations for photodesorption problems, P. Saalfrank Exciton scattering, k selection rule, exciton bandwidth in pyrene microcrystallites, and lattice relaxation energy for the origin of V luminescence, Y. Oeda, O. Nishi, Y. Matsushima, K. Mizuno, A.H. Matsui, M. Michinomae, M. Takeshima and T. Goto Structures and potential energy surface of Faujasitic zeolite/water, 1. Limtrakul, P. Treesukol, e. Ebner, R. Sansone and M. Probst Disordered surfaces: a smoothed He-target scattering potential for metal atoms adsorbed on metal surfaces, G. Petrella, L. Cassidei and F. Ciriaco "Free" nuclear density propagation in two dimensions. The coupled-channel density matrix method and its application to inelastic molecule-surface scattering, L. Pesce and P. Saalfrank

211 (1996) 367 214 (1997) 425

216 (1997) 281

219 (1997) 91

212 (1996)

9

212 (1996) 69

215 (1997) 207 215 (1997) 309 216 (1997) 417 218 (1997) 191

211 (1996) 455

212 (1996) 29 217 (1997) 99

211 (1996) 265

213 (1996) 421 215 (1997) 77 216 (1997) 391

219 (1997) 43

110

Subject index to volume 211-220

Thennodynamic and transport properties Transport coefficients for NO+ ions in helium gas: a test of the NO+-He interaction potential, L.A. VieWand, AS. Dickinson and RG.A.R Mac\agan Maximum entropy imaging and quantum molecular timescale generalized Langevin equation theory, H.K. McDowell and A.M. Clogston Monte Carlo simulation studies on the validity of the Gram-Charlier calculations of velocity distributions of Na + swarm in neon gas, P.P. Ong and M.-M. Li The dissociation energies of FeF, FeCI, and FeBr and their positive ions, e.W. Bauschlicher Jr. Universality of anomalous diffusion in extremely disordered systems, 1.e. Dyre and J.M. Jacobsen Dissipation and fluctuation for a randomly kicked particle: Normal and anomalous diffusion, E. Barkai and V. Fleurov Reactions controlled by enhanced diffusion: Deterministic and stochastic approaches, G. Zumofen, J. Klafter and M.F. Shlesinger Effect of ethanol addition upon the structure and the cooperativity of the water H bond network, R Lamanna and S. Cannistraro Ab initio calculation of the intermolecular potential energy surface of (C0 2)2 and first applications in simulations of fluid CO 2 , M. Welker, G. Steinebrunner, 1. Solca and H. Huber Drift velocity of ions in lighter gases in electric and magnetic fields, L. Ferrari and A. Carbognani Peculiarities of the enthalpy relaxation of a glassy crystal, 0. Delcourt, M. Descamps, J. Even, M. Bertault and J.F. Willart Effect of strong excitation of the CO 2 asymmetric mode on transport properties, A Chikhaoui and E.V. Kustova Structure of solids and Liquids Al,Si ordering in chabazites: A Monte Carlo study, M.C. Gordillo and c.P. Herrero A QM/MM simulation method applied to the solution of Li + in liquid ammonia, T. Kerdcharoen, K.R. Lied! and B.M. Rode Single molecule polarization spectroscopy: pentacene in p-terphenyl, F. Giittler, M. Croci, A. Renn and U.P. Wild An ab initio perturbed ion study of structural properties of Ti0 2 , Sn0 2 and Ge0 2 rutile lattices, AC. Camargo, J.A. Igualada, A. Beltran, R. Llusar, E. Longo and J. Andres A method to calculate the probability distribution for systems with large energy barriers, 0. Engkvist and G. Karlstrom Molecular dynamics simulations of water/metal and water/vacuum interfaces with a polarizable water model, A Kohlmeyer, W. Witschel and E. Spohr Ab initio calculation of the intermolecular potential energy surface of (C0 2 )2 and first applications in simulations of fluid CO 2 , M. Welker, G. Steinebrunner, J. Solca and H. Huber Positron annihilation in and compressibility of liquid water + tert-butyl alcohol mixtures, A Baranowski, K. Jerie and J. Glinski Orientational correlations in liquid carbon tetrabromide: a neutron diffraction and RMC study, I. Bako, J.c. Dore and D.W. Huxley Water structuring around complex solutes: theoretical modeling of a-D-glucopyranose, B. Leroux, H. Bizot, J.W. Brady and V. Tran

211 (1996) 211 (1996) 91 211 (1996) 115 211 (1996) 163 212 (1996) 61 212 (1996) 69 212 (1996) 89 213 (1996) 95

213 (J 996) 253 215 (1997) 37 215 (1997) 51 216 (1997) 297

211 (1996) 81 211 (1996) 313 211 (1996) 421 212 (1996) 381 213 (1996) 63 213 (1996) 21 1

213 (1996) 253 214 (1997) 143 216 (1997) 119 216 (1997) 349

Subject index to volume 211-220

Effects of CCl 4 on positronium fonnation in pure isooctane and in AOT/water/isooctane microemulsions, M.F. Ferreira Marques, H.D. Burrows, M. da Gra~a Miguel, AP. de Lima, C. Lopes Gil and G. DupHltre Structure and dynamics at the surface of a concentrated aqueous solution of CsF, J. Dietter and H. Morgner Critical phenomena An analytical study of the Berezhkovskii-Pollak-Zitsennan theory of rate processes in the critical region. II. The critical coupling plane, S. Singh and G.W. Robinson Temperature dependence of the density of an ionic micellar system near the critical point, A Compostizo, C. Martin, R.G. Rubio and A Crespo Colin Electric pennittivity in the one- and two-phase region of ] -nitropropane-hexadecane near-critical solution, M. Paluch, P. Habdas, S.J. Rzoska and T. Schimpel On the degrees of circularity for various kinds of polarized light in a nonpolar liquid mixture, D.J. Lee and K.-R. Kim Phase transitions The Neel point for spin-transition systems: toward a two-step transition, H. BoIvin Solvent effects on sol-gel transition of alginate solutions by addition of cupric ions, H. Zheng, K. Jiang, Q. Zhang and J. Wang A double origin proposed for the various Mossbauer spectra of biferrocenium salts: charge ordering and molecular bistability, F. Varret, J. Linares and K. Boukheddaden Influence of pressure on the ferroelectric phase transition in a symmetrical polymerizable diacetylene crystal DNP, J. Even, M. Bertault, A. Girard and Y. Delugeard

111

220 (I997) 233 220 (1997) 261

212 (]996) 125 212 (]996) 301 213 (]996) 483 214 (]997) ]83

211 (J996) 101 211 (] 996) 507 212 (1996) 487 213 (1996) 357