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Subject index to volume 69
SUBJECT INDEX TO VOLUME 69
METHODS Theoretical
Sfa~ionaiywauefifnchbm Effects of relativity in the He(I) photoelectron spectrum of CI,, G. Jonkers, CA. de Lange and 3-G. Snijden He(l) photoelectron spectroscopy of tetraiodoethylene (C&), G. Jonkers, SM. van der Kerk, R. Mooyman, CA. de Lange and J.G. Snijders Vihronic effects in photoiysis of metalloporphyrins and hemoproteins, LB. Bersuker, S.S. Stavrov and B.C. Vekhter Semi-empirical Potential energy surfaces fer the linear HXY (X, Y = F, Cl, Br, I) systems, f. Lest Ab initio calculation ofnuclear spin-spin coupling constant of HF and CN-, M.T. Rayez, E. Neumann, J. Hoarau and F. Achard Relativistic calculation of the electronic structure of IrCIz-, A. Goursot and H. Chermette Binary (e, 2e) spectroscopy and momentum-space chemistry of CO,, J.P.D. Cook and C.E. Brian
69 (1982) 109 69 (1982) 115 69 (1982) 165 69 (1982)
193
69 (1982) 323 69 (1982) 329 69 (1982) 339
Transport and rekzxation theory The influence of electrostatic interactions on Franck-Condon factors in e!ectron transfer processes, J.W. van Leeuwen and YX. Levine Observation of the inverse isotope effect in a tunnel electron transfer, Al. Fisei, V.N. Wrmon and K.I. Zamaraev f)n the calculation of classical vibrational energy exchange, JP. Gibbons and J.D. Stettler F.lolecuIar dynamics simulations of restricted primitive model I:1 electrolytes, DM. Heyes Steric factor in diffusioncontrolled chemical reactions, V.M. Berdnikov and A.B. Doktorov On statistics of an ensemble of oscillators under excitation. III. Quantnm non-linear oscillators with fast phase relaxation in a non-monochromatic external fleld, V.N. Sazonov, A.A. Stuchebrukhov and S.V. Zatsepin Xreo:etical probabilities of V-V energy transfer: CO with isotopes of N2 and deactivation of Iaser-excited SO,, V. Revelant and C. Manzanares I.
69 (1982) 473
Sratish~calmechan& of equilibnirm and stationary states Theory of tunnel transitions of atoms in solids, L.1. Trakhtenberg, V.L. Klochikhin and S.Ya_ Pshezhetsky Molecular dynamics simulations of restricted primitive model I : 1 eIectrolytes, D.M. Heyes
69 (1982) 121 69 (1982) 155
Pnermo&wamics r;nd hydrodynamics Molecular dynamics simurations of restricted
69 (1982) 155
primitive model 1:: electrolytes,
D.M. Heyes
69 (1982)
69 69 69 69
(1982) (1982) (1982) (1982)
89 135 141 155 205
69 (1982) 4.59
Computational methods On the calculation of classical vibrational energy exchange, J.P. Gibbons and J.D. Settler An investigation of basis sets and basis set superposition error in transition metals using frozen core and frozen orbital techniques, L. Pettersson and U. Wablgren Quasiclassical trajectory calculations for H f H, (v = 0,l) on a potential energy surface from force field data, AJC. Varandas MCSCF and multi-reference CI calculations of the potential energy surface for ground state H20, WP. Kraemer, B-0. Roos and PE.M_ Siegbabn Ab initio calculation of nuclear spin-spin coupling constant of HF and CN-, M.T. Rayez, E. Neumann, J. Hoarau and F. Achard Theoryof dynamics and sca:tering Rotational rainbows in atom-rigid rotor scattering: a comparison of the classical 10s approximation with classical trajectory calculations, HJ. Korsch and D. Poppe Strong non-Condon effects induced by electron correlation: N20*, H. Ktippel, L.S. Cederbaum and W. Domcke A comparison of tunnebng transfer theories for asymmetric isomerization reactions, P.H. Cribb, S. Nordholm and N.S. Hush Resonances in photoionization cross sections. A comparison of pseudo-bound-state methods, C.E. Woodward, S. Nordholm and G. Bacskay Further development and application of the ECS scaling theory: non-linear moiecules, AM. Richard and AE. DePrlsto Quasisiclassical trajectory calculations for H + Ha (u = 0,l) on a potential energy surface from force field data, A.J.C. Varandas
69 (1982) 141 69 (1982) 185 69 (1982) 295 69 (1982) 305 69 (1982) 323
69 (1982)
99
69 (1982) 175 69 (1982) 259 69 (1982) 267 69 (1982) 273 69 (1982) 295
Experimental Magnetic and electric resonance ENDOR of quintet-state bicarbenes
in diacetylene
single crystals, W. Hartl and M. Schwoerer
Injkwed and Raman spectroscopy Overtone spectra of crystalhe CaWO,: vibrational exciton density-of-states hmctions, S.D. Colson and KN. Wang High-resolution diode laser spectroscopy of CO in solid Nz: effect of dipolar broadening on vibrational transitions, H. Dubost, R. Chameau and M. Harig The reaction of F atoms with acetaldehyde and ethylene oxide. Vibrational spectra of the CH3C0 and CH,CHO free radicals trapped in solid argon, h1.E. Jacox Visible and ultraviolet spectroscopy Transient intermediates in the flash photolysis of mercury vapour. Dimers, trimers and the enigmatic 2480 A bands, A.B. Callear and K.-L. Lai Optical activity due to deuterium substitution in adamantanone and adamantanet_hione. Barrier to inversion in the lna* excited staie, P.H. Schippers and HPJM Dekkers x --z 2 fluorescence spectra of CH30 and C2H,0 generated by the ArF laser photolysis of alkyl nitrites, T. Ebata, H. Yanagishita, K. Obi and I. Tanaka Electron impact dissociation of CH&CD& laser induced fluorescence of product CH+(CD+), B.H. Mahan and A. O’Keefe Investigation of the Stark effect on the lowest triplet states of I-indanone single crystals, J.S. Patei and D.M. Hanson
69 (1982) 443
69 (1982) 22.3 69 (1982) 389 69 (1982) 407
69(1982)
I
69 (1982)
19
69 (1982).
27
69 (1982)
3.5
69 (1982) 249
488
Subiect tkdex
Dymmic
constraints associated wi’th the formation of SiS(a 3F) from the Si-OCS chemiluminescent reaction, J.L_ GoIe and G.J. Green 0, photolysis at 218 MI and O(‘D$ quenching by H20, CH+ Hz, and X,0: O@‘,) yields, PH. Wine and A.R. Ravishankara Observation of new bands in the N2 Herman infixed system and kinetic study of its formation in a puked-discharge apparatus, I. Nadler, A. Rotem and S. Rosenwaks Determination of the rate cor@+t of reaction of N(4S,,) with NO, using resonance fluorescence in 3 discharge gow system, M.A.A. Clyne and Y. One
69 (1982) 357 69 (1982) 365 69 (1982) 375 69 (1982) 381
Photoelectronand ESCA specfloscopy
Effects of relativity in the He(f) photoelectron spectrum of CI4, G. Jonkers, CA. de Lange and J-G. Snijders He(I) photoelectron spectroscopy of tetraiodoethylene (C&), G. Jonkers, SM. van der Kerk, R. Mooyman, CA. de Lange and 3.G. Snijders fhotoelectron angular distribution and assignments of photoelectron spectra of nitrogen dioxide, nitromethane and nitrobenzene, S. Katsumata, I-I. ShIromaru, K. ~Miitti, S. Iwata and K. Kimura
A- X fluorescence spectra of CH30 and C?H,O generated by the ArF laser photolysis of aikyl nitrites, T. Ebata, H. Yanagishita, K. Obi and I. Tanaka Electron impact dissociation of CH4(CD4): laser induced fluorescence of product CH’(CD+), B&I_&f&an and A. O’Keefe Master equation description of the multiphoton decomposition of ethyl acetate, J.E. Eberhardt, R.B. Knott, A.W. Pryor and K.G. Gilbert Absolute rate constants for the reactions of CH(X ZII) with NO, NzO, NOa, and N2 at room temperature, S.S. Wagal, T. Carrington, S.V. Filseth and C.M. Sadowski On statistics of an ensemble of oscillators under excitation. III. Quantum non-linear oscillators with fast phase rekxation in a non-monochromatic external field, V-N. Sazonov, Ad. Stuchebrukhov and S.V. Zatsepin Theoretical probabilities of V-V energy transfer: CO with isotopes of N2 and deactivation of iaser-excited SO:!, V. ReveIant and C. Manzanares I.
Angular distribtition of photopredissociation fragrrents from CH,I+, M. Tadjeddine, G. Bouchoux, L. Malegat, J. Durup, C. Pemot and J. Weiner and molecukzr beams Charge transfer between helium ions and metastable helium, R.H. Neynaber and S.Y. Tang Rnamic constraints associated with the formation of SiS(a 32+) from the Si-OCS chemiluminescent reaction, J.L. Gale and G.J. Green Dynamics of ion-molecule processes: a crossed-beam study of the reaction I3+(3P) + Hz -z BHf + I-I, 3. Friedrich and 2. Herman
69 (1982) 109 69 (1982) 115
69 (1982) 423
69 (1982)
27
69 (1982)
35
69 (1982)
45
69 (1982)
61
69 (1982) 459 69 (1982) 473
69 (1982) 229
Atomir
Time-resolvedexperiments Transient intermediates in the flash photolysis of mercury vapour. Dimers, irimers and the enigmatic 2480 a bands, A.B. Callear ad K.-L. Lai Electron impact dissociation of CH4(CD4)z laser induced fluorescence of product CH*(CD+), B.H. Mahan and A. O’Keefe
69 (1982) 213 69 (19X2) 357 69 (1982) 433
69 (1982)
1
69 (1982)
35
AbsoIute rate constants for the reactions of CH(X2ii) with NO, N20, NOZ, and N2 at room temperature, SS. Wagai, T. Car&ton, S.V. Filseth and CM. Sadowski Correlation of positronium yield with excess electron mobility in liquid neopentane, FM Jacobsen, O.E. Mogensen and G. Trmrpy Modeling of the fast photoisomerisation process in polymetbine dyes, S.K. Rentsch Observation of the inverse isotope effect in a tunnel electron transfer, A.I. Fiksel, V.N. Parmon and K.I. Zamaraev 02 photdysis at 248 nm and O(lD,) quenching by H20, CH4, Hz, and N20: 0(3P~) yields, PH. Wine and A.R. Ravishankara Observation of new bands in the N2 Herman infrared system and kinetic study of its formation in a pulsed&charge apparatus, I. Nadler, A. Rotem and S. Rosenwaks
Correlation of positronium yield with excess electron mobility in liquid neopentane, F.M. Jacobsen, O.E. Mogensen and G. Trumpy The influence of electrostatic interactions on Franck-Condon factors in electron transfer processes, J.W. van Leeuwen and YX. Levine
69 (1982)
61
69 (1982) 69 (1982)
71 81
69 (1982) 135 69 (1982) 365 69 (1982) 375
69 (1982)
71
69‘(1982)
89
scattering Binary (e, 2e) spectroscopy and momentum-space chemistry of COz, J.P.D. Cook and CB. Brion Dynamics of ion-molecule processes: a crossed-beam study of the reaction B+(3P) + H2 + BH+ t H, B. Friedrich and Z. Herman
69 (1982) 339 69 (1982) 433
OBJECTS Bulk systems
A + X fluorescence spectra of CH30 and C$H,O generated by the ArF laser photolysis of alkyl nitrites, T. Ebata, H. Yanagishita, K. Obi and I. Tanaka Master equation descriptioa of the multiphoton decomposition of ethyl acetate, J.E. Eberhardt, R.B. Knott, A.W. Pryor and R.G. Gilbert Effects of relativity in the He(I) photoelectron spectrum of C14, G. Jonkers, C.A. de rLange and J.G. Snijders He(I) photoelectron spectroscopy of tetraiodoethylene (C214), G. Jonkers, S.M. van der Kerk, R. hfooyman, C.A. de Lange and J.G. Snijders On the calculation of classical vibrational enerw exchange, J.P. Gibbons and J.D. Stettler Further deveiopment and application of the ECS scaling theory: non-linear molecules, A.M. Richard and A.E. DePristo Quasiclassical trajectory calculations for H ? H2 (u = 0, 1) on a potential energy surface from force field data, AJ.C. Varandas Determination of the rate constant of reaction of N(%,,) with NO2 using resonance tluorescence in a discharge flow system, MAA. Clyne and Y. Ono
69 (1982)381
Correlation of positronium yield with excess electron mobility in liquid neopentane, FM. Jacobsen, OB. hfogensen and G. Trumpy
69 (1982)
69 (1982)
27
69 (1982)
45
69 (1982) 109 69 (1982) 115 69 (1982) 141 69 (1982) 273 69 (1982) 295
71
Subject in&e-r
490
sdzl tiuns Modeling of the fast photoisomerisation process in polymethine dyes, SK. Rentsch Mo!ecular dynamics simulations of restricted primitive model 1: 1 electrolytes, D.&f. Heyes Steric factor in diffusion-controlled chemical reactions, V.M Berdnikov and A.B. Doktorov A comparison of tunneling transfer theories for asymmetric isomerization K%XtiOPs, Psi. Cribb, S. Nordhohn and N.S. Hush
69 (1982)
XI
69 (1982) 15.5 69 (1982) 205 69 (1982) 259
Ckystals Theory of tunnel transitions of atoms in solids, L1. Trakhtenberg, V.L. Klochikhin and SYa. Pshezhetsky Overtone spectra of crystalline CaW04: vibrational exciton density-of-states functions, SD. Colson and KN. Wong Investigation of the Stark effect on the lowest triplet states of I-indanone single crystals, J.S. Pate1 and D_M. Hanson High-resolution diode laser spectroscopy ofC0 in solid N2: effect of dipolar broadening on vibrational transitions, H. Dubost, R. Charneau and M. Harig ENDOR of quintet-state bicarbenes in diacetylene single crystals, W. Hartl and M. Schwoerer Ghsses and liquid cvstals The influence of electrostatic interactions on Franck-Condon processes, J.W. van Leeuwen and YX. Levine Observation of the inverse isotope effect in a tunnel electron VN. Parmon and K-1. Zamaraev Dielectrics The influence of electrostatic interactions on Franck-Condon processes, J.W. van Leeuwen and YX. Levine Microscopic
factors in electron
69 (1982) 121 69 (1982) 223 69 (?982) 249 69 (1982) 389 69 (1982) 443
transfer 69 (1982)
transfer,
89
A-1. Fiksel, 69 (1982) 135
factors in electron
transfer 69 (1982)
89
systems
Charge transfer between helium ions and metastable helium, R.H. Neynaber and S.Y. Tang Resonances in photoionization cross sections. A comparison of pseudo-bound-state methods, C.E. Woodward, S. Nordhohn and C. Bacskay Determination of the rate constant of reaction ofN(‘$& with NO, using resonance fluorescence in a discharge flow system, M&A. Clyne and Y. Ono
69 (1982) 213 69 (1982) 267 69 (1982) 381
Molecules Optical activity due to deuterium substitution in adarnantanone and adamantanethione. Barrier to inversion in the l~m* excited state, P.H. Schippers and H.P.J.M. Dekkers Master equation description of the rnuhiphoton decomposition of ethyl acetate, JE. Eberhardt, R.B. Knott, A.W. Pryor and R.G. Gilbert Absolute rate constants for the reactions of CH(XzIl) with NO, N20, NO,, and N7 at room temperature, S.S. Wag& T. Carrington, S.V. Fjlseth and CM. Sadowski Modeling of the fast photoisomerisation process in polymethine dyes, SK. Rentsch Effects of reIativity in the He(I) photoelectron spectrum of CI,, G. Jonkers, C-4. de Lvlge and J.G. Snijders He(I) photoe!ectron spec:roscopy of tetraiodoethylene (C21q), G. Jonkers, SM. van tier Kerk, R. Mooyman, CA. de Lange and J.G. Snijders
69 (1982)
19
69 (1982)
45
69 (1982) 69 (1982)
61 81
69 (1982) 109 69 (1982) 115
Subject index
Vibronic effects in photolysis of metalioporphyrins and hemoproteins, LB. Bersuker, SS. Stavrov and B.C. Vekhter Semi-empirical potential energy surfaces for the linear HXY (?& Y = F, Cl, Br, I) systems, I. Last Angular distribution of photopre&sociation fragments from CH31+, M. Tadjeddine, G. Bouchoux, L. Malegat, J. Durup, C. Pemot and 3. Weiner investigation of the Stark effect on the lowest triplet states of I-indanone single crystals, J.S. Pate1 and D.&f. Hanson Further development and application of the ECS scaling theory: non-linear molecules, A.M. Richard and A.E. DePristo MCSCF and multi-reference CI calculations of the potential energy surface for ground state H20, W.P. Kraemer, B-0. Roos and P.E?& Siegbahn Ab initio caIcuIation of nuclear spin-spin coupling constant of HF and CN-, M.T. Rayez, E. Neumann, J. Hoarau and F. Achard BinG(e, 2e) spectroscopy and momentum-space chemistry of COZ, J.P.D. Cook and C.E. Brian Dynamic constraints associated with the formation of Sis(a 3 xi) from the Si-OCS cherduminescent reaction, J.L. Gole and G J. Green Observation of new bands in the N, Herman infrared system and kinetic study of its formation in a pulsed-discharge apparatus, I. Nadler, A. Rotem and S. Rosenwaks Photoelectron angular distribution and assignments of photoelectron spectra of nitrogen dioxide, nitromethane and nitrobenzene, S. Katsumata, H. Shiromaru, K. Mitani, S. Iwata and K. Kimura On statistics of an ensemble of oscillators under excitation. III. Quantum non-linear oscillators with fast phase relaxation in a non-monochromatic external field, V.N. Sazonov, A.A. Stuchebrukhov and S.V. Zatsepin Theoretical probabilities of V-V energy transfer: CO with isotopes ofN* and deactivation of laser-excited SO,, V. Revelant and C. Manzanares I.
A + X fluorescence spectra of CH,O and C2H50 generated by the ArF laser photolysis of alkyl nitrites, T. Ebata, H. Yanagishita, K. Obi and I. Tanaka Absolute rate constants for the reactions of CH(X2II) with NO, N,O, N02, md N2 at room temperature, S.S. Wagal, T. Carrington, S.V. Filseth and CM. Sadowski 0, photoIysis at 248 nm and O(lD,) quenching by HzO, CH4, H2, and NzO: O(;PJ) yields, PH. Wine and A.R. Ravishankara The reaction of F atoms with acetaldehyde and ethylene oxide. Vibrational spectra of the CH,CO and CH2CHO free radicals trapped in solid argon, ME. Jacox
491
69 (1982) 165 69 (1982) a93 69 (1982) 229 69 (1982) 249 69 (1982) 273 69 (1982) 305 69 (1982) 323 69 (1982) 339 69 (1982) 3.57 69 (1982) 375
69 (1982) 423
69 (1982) 459 69 (1982) 473
69 (1982)
27
69 (1982)
61
69 (1982) 565 69 (1982j 407
Overtone spectra of crystalline CaW04: bibrational exciton density-ofstates functions, SD. CoIson and K.N. Wong Investigation of the Stark effect on the lowest triplet states of I-indanone single crystals, J.S. Patef and DM. Hanson
69 (1982) 249
Defects and impurities Theory of tunnel transitions of atoms in solids, L.I. Trakhtenberg, V.L. Klochikhin and S_Ya. Pshezhetsky
69
69 (1982) 223
(1982) 121
392
Subject index
Ions and complexes
Electron impact dissociation of CH4(CD4): laser induced fluorescence of product CH+(CDf), BN. Mahan and A. O’Keefe Molecular dynamics simulations of restricted primitive model 1 :I electrolytes, D.M. Heyes Strong non-Condon effects induced by electron correlation: N20t, H. KBppd, L.S. Cederbaum and W. Domcke _AnguIardistribution of photopredissociatioo fragments from CH$, M. Tadjeddine, G. Bouchoux, L. Malegat, J. Dump, C. Pemot and J. Weiner Relativistic calculation of the electronic structure of I&-, A. Gourjot and H. Chermette Dynamics of ion-molecule processes: a crossed-beam study of the reaction B’(3P) + H2 + BH+ + H, B. Friedrich and Z. Herman
69 (1982) 35 69 (1982) 155 69 (1982) 175 69 (1982) 229 69 (1982) 329 69 (1982) 433
Dimen and molecular cluster
Transient intermediates in the flash photolysis of mercury vapour. Dimers, trimers and the enigmatic 2480 A bands, A.B. Callear and K.-L. Lai Relativistic calculation of the electronic structure of IrC$, A. Goursot and H. Chermette Polymers and biological macromolecules Vibronic effects in photolysis of metalloporphyrins and hemoproteins, LB. Bersuker, S.S. Stavrov and B.G. Vekhter ENDOR of quintet-state bicarbenes in diacetylene single crystals, W. Hartl and M. Schwoerer
69(1982)
1
69 (1982) 329
69 (1982) 165 69 (1982) 443
PHENOMENA ritomic and molecdar structure
Transient intermediates in the flash photolysis of mercury vapour. Dimers, trimers and the enigmatic 2480 ii bands, A.B. Callear and K.-L. Iai x’ibrorric effects in photolysis of metalloporphyrins and hemoproteins, I.B. Bersuker, S.S. Stavrov and B.G. Vekhter An investigation of basis sets and basis set superposition error in transition metals using frozen core and frozen orbital techniques, L. Pettersson and U. Wahlgren MCSCF and multi-reference CI calculations of the potential energy surface for ground state HZO, WP. Kraemer, B.O. Roos and P-EM. Siegbatm Relativistic calculation of the electronic structure of IrClz-, A. Goursot and H. Chermette %I(e, 2r) spectroscopy and momentum-space chemistry of CO2, J.F’.D. Cook and C.E. Brian ENDOR of quintet-state bicarbenes in diacetylene single crystals, W. Hart1 and M. Schwoerer Energy levels Effects of relativity in the He(I) photoelectron spectrum of Cl,, G. Jonkers, CA. de Lange and J.G. Snijders He(I) photoelectron spectroscopy of tetraiodoethylene (C211), G. Jonkers, SM. van der Kerk, R. Prlooyman, C.A. de Lange and J.G. Snijders Overtone spectra of crystalline CaWO, : vibrational exciton density-of-states functions, SD. Colson and K.N. Wang Relativistic calculation of the electronic structure of IrCla-, A. Goursot and H. Chermette The reaction of F atoms with acetaldehyde and e*&ylene oxide. Vibrational spectra of the CH$O and CH&HO free radicals trapped in solid argon, M.E. Jacox
69 (1982)
1
69 (1982) 165 69 (1982) 185 69 (1982) 305 69 (1982) 329 69 (1982) 339 69 (1982) 443
69 (1982) 109 69 (1982) 115 69 (1982) 223 69 (1982) 329 69 (1982) 407
493
Electric and magnetic propertics Investigation of the Stark effect on the lowest triplet states of I-indanone single crystals, JS. Pate1 and D.M. Hanson Ab inltio calculation of nuclear spin-spin coupling constant of HF and CN- , MT. Rayez, E. Neumann, J. Hoarau and F. Achard Spectral bandshapesazd intensities Strong nonCondon effects induced by electron correlation: N20i, H. Kijppel, L.S. Cederbaum and W. Domcke High-resolution diode laser spectroscopy of CO in solid N2 : effect of dipolar broadening on vibrational transitions, H. Dubost, R. Chameau and M. Harig Relaxation phenomena Modeling of the fast photoisomerisation process in polymethiie dyes, SK. Rentsch Further development and application of the ECS scaling theory: non-linear molecules, AX Richard and A.E. DeFristo High-resolution diode laser spectroscopy of CO in solid N2 : effect of dipolar broadening on vibrational transitions, H. Dubost, R. Chameau and hf. Harig On statistics of an ensemble of oscillators under excitation. III. Quantum non-linear oscillators with fast phase relaxation in a non-monochromatic external field, V.N. Sazonov, A.A. Stuchebrukhov and S.V. Zatsepin Energy transfer and conversion Master equation description of the multiphoton decomposition of ethyl acetate, J.E. Eberhardt, R.B. Knott, A.W. Pryor and R.G. Gilbert Rotational rainbows in atom-rigid rotor scattering: a comparison of the classical IOS approximation with classical trajectory calculations, H.J. Korsch and D. Poppe On the calculation of classical vlbrationd energy exchange, J.P. Gibbons and J.D. Stettler Further development and application of the ECS scaling theory: non-linear molecules, A.M. Richard and AX. DePristo Dynamic constraints associated with the formation of SiS(a 32’) from the SGOCS chemiluminescent reaction, J.L. Gole and G J. Green O3 photolysis at 248 nm and O(lD,) quenching by H20, CH4, HZ, and N20: 0(3P~) yields, PH. Wine and A.R. Ravishankara Observation of new bands in A&eN, Herman infrared system and kinetic study of its formation in a pulsed-discharge apparatus, I. Nadler, A. Rotem and S. Rosenwaks Theoretical probabilities of V-V energy transfer: CO with isotopes ofN, and deactivation of Iaser-excited SOa, V. Revelant and C. Manzanares I. Reactions Master equation description of the multiphoton decomposition of e&&y1acetate, J.E. Eberhardt, R.B. Knot?, A.W. Pryor and R-G. Gilbert Absolute rate constants for the reactions of Cl!@ 211) with NO, NZO, NOT, and N2 at room temperature, S.S. Wagal, T. Carrlngton, S.V. Filseth and CM.. Sadowski Semi-empirical potential energy surfaces for the linear HXY (X, Y = F, Cl, Br, 1) systems, I. Last Steric factor in diffusion-controlled chemical reactions, V_M. Berdnikov and A.B. Doktorov Charge transfer between helium ions and metastable helium, R.H. Neynaber and S.Y. Tang
69 (1982)
249
69 (1982) 32.3
69 (1982) 175 69 (1982) 389
69 (1982)
81
69 (1982) 273 69 (1982) 389
69 (1982) 459
.,’
69 (1982)
45
69 (1982) 99 69 (1982) 141 69 (1982) 273 69 (1982) 357 69 (1982) 365 69 (1982) 375 69 (1982) 473
69 (1982)
45
69 (1982)
61
69 (1982) 193 69 (1982) 205 69 (1982) 213
494
Subj2ctindex
A
comparison of tunneling transfer theories for asymmetric isomerization reactions, P.H. Cribb, S. NordhoIm and N.S. Hush Quasiclassical trajectory calculations for Hi H2(u = 0, I) on a potential energy surface from force field data, A.J.C. Vamndas Dynamic constraints associated with the formation of SIS(a 3z1) from the Si-OCS chemiluminescent reaction, J.L. Gale and G.J. Green O3 photo1ysi.s at 248 nm and O(lD,> quenching by HzO, CH,, HZ, and N&X O(aPJ) yields, P.H. Wine and A.R. Ravishankara Determination of the rate constant of reaction of N(%& with NO2 using resonance fluorescence in a disckge flow system, M.A.A. Clyne and Y. On0 The reaction of F atoms with acetyldehyde and ethylene oxide. Vibrational spectra of the CH,CO and CH-&HO free radicals trapped in solid argon, 1M.E.Jacox Dynamics of ion-molecule processes: a crossed-beam study of the reaction B’(3P) + H, -+ BHt i H, B. Friedrich and Z. Herman ENDOR of quintet-state bicarbenes in diacetylene single crystals, W. Hartl and M. Schwoerer
69 (1982) 259 69 (1982) 295 69 (2982) 357 69 (1982) 365 69 (1982) 381 69 (2982) 407 69 (1982) 433 69 (I 982) 443
Intei-inoIecular interactions The intluence of electrostatic interactions on Franck-Condon
factors in electron transfer processes, J.W. van Leeuwen and YK. Levine Rotational rainbows in atom-rigid rotor scattering: a comparison of the classical IOS approximation with classical trajectory calculations, H.J. Korsch and D. Poppe On the calculation of classical vibrational energy exchange, J.P. Gibbons and I.D. Stettler Overtone spectra of crystalline CaWO,: vibrational exciton density-of-states functions, S.D_ Colson and K.N- Wong Quasiclassical trajectory calculations for H + H3(u = 0, 1) on a potential energy surface from force field data, A.J.C. Varandas EClCStF and multi-reference CT calculations of the potential energy surface for ground state H,O, W.P. Kraemer, B-0. Roes and P.E.M. Siegbahn Observation of new bands in the N2 Herman infrared system and kinetic study of its formation in a pulsed-discharge apparatus, I. Nadler, A. Rotem and S. Rosenwalcs High-resolution diode laser spectroscopy of CO in solid N2: effect of dipdar broadening on vibrational transitions, II. Dubost, R. Charneau and IM.Harig Theoretical probabilities of V-V energy transfer: CO with isotopes of Nz and deactivation of laser-excited SO,, V. Revelant and C. Manzanares I.
69 (1982)
89
69 (1982) 99 69 (1982) 141 69 (1982)
223
69 (1982) 295 69 (1982) 305 69 (1982) 375 69 (1982) 389 69 (1982) 473
&nic_and excited state phenorneua A -+ X fluorescence spectra of CHa 0 and C2Hs0 generated by the ArF Iaser photolysis of
alkyl nitrites, T. Ebata, H. Yanagishlta, K. Obi and I. Tanaka Electron impact dissociation of CHe(CD& laser induced fluorescence of product CH+(CD+), B.H. Mahan and A. O’Keefe Correlation of positronium yield with excess electron mobility in liquid neopentane, FM. Jacobsen, O.E. Mogensen and G. Trumpy Vibronic effects in photolysis of metalloporphyrins and hemoproteins, LB. Bersuker, SS. Stavrov and B.G. Vekhter Angular distribution of photopredissociation fragments from CH-$*, M. Tadjeddine, G. Bouchoux, L. hfalegat, J. Durup, C. Pemot and J. Weiner Binary (e, 2e) spectroscopy and momentum.space chemistry of COa, J.P.D. Cook and C.E. Brian
69 (1982)
27
69 (1982)
35
69 (1982)
71
69 (1982) 165 69 (1982) 229 69 (1982) 339
Subject
index
495
Ionization
Resonances in photoionization cross sections. A comparison of speudo-bound-state methods, CE. Woodward, S. Nordholm and G. Bacskay Phoioelectron angular distribution and assignments of photoelectron spectra of nitrogen dioxide, nitromethane and nitrobenzene, S. Katsumata, H. Shiromarn, K. Mi’ti, S. Iwata and K. Kimura
69 (1982) 267
69 (1982) 423
Isotope ef”cts
Optical activity due to deuterium substitution in adatnantanone and adamantanethione. Barrier to inversion in the lmr* excited state, P.H. Schippers and H9.J.M. Dekkers Theory of tunnel transitions of atoms in solids, L.I. Trakhtenberg, V.L. Wochikhin and S.Ya. Pshezhetsky Observation of the inverse isotope effect in a tunnel electron transfer, A-1. Fiksel, V.N. Pannon and K.I. Zamaraev A comparison of tunneling transfer theories for asymmetric isomerization reactions, P.H. Cribb, S. Nordholrn and N.S. Hush
69 (1982)
19
69 (1982) 121 69 (1982) 135 69 (1982) 259
@ptical actiuity
Optical activity due to deuterium substitution in adarnantanone and adamantanethione. Barrier to inversion in the Inn* excited date, P.H. Schippers and H.P.J.M. Dekkers
69 (1982)
19
Noniinem
o$hrl effects Qn statistics of an ensemble of oscillators under excitation. III. Quantum non-linear oscillators with fast phase relaxation in a non-monochromatic external field, V.N. Sazonov, AA. Stuchebrukhov and S.V. Zatsepin
Thmrport of charge and mass Theory of tunnel transitions of atoms in solids, L.I. Trakhtenberg, V.L. Klochikhin and S.Ya. Pshezhetsky Observation of the inverse isotope effect in z tunnel electron transfer, A.I. Fiksel, V-N. Parmon and K.I. Zamaraev
69 (1982) 459
69 (1982) 121 69 (3982) 135
METHODS Theoretical
Sfa~ionaiywauefifnchbm Effects of relativity in the He(I) photoelectron spectrum of CI,, G. Jonkers, CA. de Lange and 3-G. Snijden He(l) photoelectron spectroscopy of tetraiodoethylene (C&), G. Jonkers, SM. van der Kerk, R. Mooyman, CA. de Lange and J.G. Snijders Vihronic effects in photoiysis of metalloporphyrins and hemoproteins, LB. Bersuker, S.S. Stavrov and B.C. Vekhter Semi-empirical Potential energy surfaces fer the linear HXY (X, Y = F, Cl, Br, I) systems, f. Lest Ab initio calculation ofnuclear spin-spin coupling constant of HF and CN-, M.T. Rayez, E. Neumann, J. Hoarau and F. Achard Relativistic calculation of the electronic structure of IrCIz-, A. Goursot and H. Chermette Binary (e, 2e) spectroscopy and momentum-space chemistry of CO,, J.P.D. Cook and C.E. Brian
69 (1982) 109 69 (1982) 115 69 (1982) 165 69 (1982)
193
69 (1982) 323 69 (1982) 329 69 (1982) 339
Transport and rekzxation theory The influence of electrostatic interactions on Franck-Condon factors in e!ectron transfer processes, J.W. van Leeuwen and YX. Levine Observation of the inverse isotope effect in a tunnel electron transfer, Al. Fisei, V.N. Wrmon and K.I. Zamaraev f)n the calculation of classical vibrational energy exchange, JP. Gibbons and J.D. Stettler F.lolecuIar dynamics simulations of restricted primitive model I:1 electrolytes, DM. Heyes Steric factor in diffusioncontrolled chemical reactions, V.M. Berdnikov and A.B. Doktorov On statistics of an ensemble of oscillators under excitation. III. Quantnm non-linear oscillators with fast phase relaxation in a non-monochromatic external fleld, V.N. Sazonov, A.A. Stuchebrukhov and S.V. Zatsepin Xreo:etical probabilities of V-V energy transfer: CO with isotopes of N2 and deactivation of Iaser-excited SO,, V. Revelant and C. Manzanares I.
69 (1982) 473
Sratish~calmechan& of equilibnirm and stationary states Theory of tunnel transitions of atoms in solids, L.1. Trakhtenberg, V.L. Klochikhin and S.Ya_ Pshezhetsky Molecular dynamics simulations of restricted primitive model I : 1 eIectrolytes, D.M. Heyes
69 (1982) 121 69 (1982) 155
Pnermo&wamics r;nd hydrodynamics Molecular dynamics simurations of restricted
69 (1982) 155
primitive model 1:: electrolytes,
D.M. Heyes
69 (1982)
69 69 69 69
(1982) (1982) (1982) (1982)
89 135 141 155 205
69 (1982) 4.59
Computational methods On the calculation of classical vibrational energy exchange, J.P. Gibbons and J.D. Settler An investigation of basis sets and basis set superposition error in transition metals using frozen core and frozen orbital techniques, L. Pettersson and U. Wablgren Quasiclassical trajectory calculations for H f H, (v = 0,l) on a potential energy surface from force field data, AJC. Varandas MCSCF and multi-reference CI calculations of the potential energy surface for ground state H20, WP. Kraemer, B-0. Roos and PE.M_ Siegbabn Ab initio calculation of nuclear spin-spin coupling constant of HF and CN-, M.T. Rayez, E. Neumann, J. Hoarau and F. Achard Theoryof dynamics and sca:tering Rotational rainbows in atom-rigid rotor scattering: a comparison of the classical 10s approximation with classical trajectory calculations, HJ. Korsch and D. Poppe Strong non-Condon effects induced by electron correlation: N20*, H. Ktippel, L.S. Cederbaum and W. Domcke A comparison of tunnebng transfer theories for asymmetric isomerization reactions, P.H. Cribb, S. Nordholm and N.S. Hush Resonances in photoionization cross sections. A comparison of pseudo-bound-state methods, C.E. Woodward, S. Nordholm and G. Bacskay Further development and application of the ECS scaling theory: non-linear moiecules, AM. Richard and AE. DePrlsto Quasisiclassical trajectory calculations for H + Ha (u = 0,l) on a potential energy surface from force field data, A.J.C. Varandas
69 (1982) 141 69 (1982) 185 69 (1982) 295 69 (1982) 305 69 (1982) 323
69 (1982)
99
69 (1982) 175 69 (1982) 259 69 (1982) 267 69 (1982) 273 69 (1982) 295
Experimental Magnetic and electric resonance ENDOR of quintet-state bicarbenes
in diacetylene
single crystals, W. Hartl and M. Schwoerer
Injkwed and Raman spectroscopy Overtone spectra of crystalhe CaWO,: vibrational exciton density-of-states hmctions, S.D. Colson and KN. Wang High-resolution diode laser spectroscopy of CO in solid Nz: effect of dipolar broadening on vibrational transitions, H. Dubost, R. Chameau and M. Harig The reaction of F atoms with acetaldehyde and ethylene oxide. Vibrational spectra of the CH3C0 and CH,CHO free radicals trapped in solid argon, h1.E. Jacox Visible and ultraviolet spectroscopy Transient intermediates in the flash photolysis of mercury vapour. Dimers, trimers and the enigmatic 2480 A bands, A.B. Callear and K.-L. Lai Optical activity due to deuterium substitution in adamantanone and adamantanet_hione. Barrier to inversion in the lna* excited staie, P.H. Schippers and HPJM Dekkers x --z 2 fluorescence spectra of CH30 and C2H,0 generated by the ArF laser photolysis of alkyl nitrites, T. Ebata, H. Yanagishita, K. Obi and I. Tanaka Electron impact dissociation of CH&CD& laser induced fluorescence of product CH+(CD+), B.H. Mahan and A. O’Keefe Investigation of the Stark effect on the lowest triplet states of I-indanone single crystals, J.S. Patei and D.M. Hanson
69 (1982) 443
69 (1982) 22.3 69 (1982) 389 69 (1982) 407
69(1982)
I
69 (1982)
19
69 (1982).
27
69 (1982)
3.5
69 (1982) 249
488
Subiect tkdex
Dymmic
constraints associated wi’th the formation of SiS(a 3F) from the Si-OCS chemiluminescent reaction, J.L_ GoIe and G.J. Green 0, photolysis at 218 MI and O(‘D$ quenching by H20, CH+ Hz, and X,0: O@‘,) yields, PH. Wine and A.R. Ravishankara Observation of new bands in the N2 Herman infixed system and kinetic study of its formation in a puked-discharge apparatus, I. Nadler, A. Rotem and S. Rosenwaks Determination of the rate cor@+t of reaction of N(4S,,) with NO, using resonance fluorescence in 3 discharge gow system, M.A.A. Clyne and Y. One
69 (1982) 357 69 (1982) 365 69 (1982) 375 69 (1982) 381
Photoelectronand ESCA specfloscopy
Effects of relativity in the He(f) photoelectron spectrum of CI4, G. Jonkers, CA. de Lange and J-G. Snijders He(I) photoelectron spectroscopy of tetraiodoethylene (C&), G. Jonkers, SM. van der Kerk, R. Mooyman, CA. de Lange and 3.G. Snijders fhotoelectron angular distribution and assignments of photoelectron spectra of nitrogen dioxide, nitromethane and nitrobenzene, S. Katsumata, I-I. ShIromaru, K. ~Miitti, S. Iwata and K. Kimura
A- X fluorescence spectra of CH30 and C?H,O generated by the ArF laser photolysis of aikyl nitrites, T. Ebata, H. Yanagishita, K. Obi and I. Tanaka Electron impact dissociation of CH4(CD4): laser induced fluorescence of product CH’(CD+), B&I_&f&an and A. O’Keefe Master equation description of the multiphoton decomposition of ethyl acetate, J.E. Eberhardt, R.B. Knott, A.W. Pryor and K.G. Gilbert Absolute rate constants for the reactions of CH(X ZII) with NO, NzO, NOa, and N2 at room temperature, S.S. Wagal, T. Carrington, S.V. Filseth and C.M. Sadowski On statistics of an ensemble of oscillators under excitation. III. Quantum non-linear oscillators with fast phase rekxation in a non-monochromatic external field, V-N. Sazonov, Ad. Stuchebrukhov and S.V. Zatsepin Theoretical probabilities of V-V energy transfer: CO with isotopes of N2 and deactivation of iaser-excited SO:!, V. ReveIant and C. Manzanares I.
Angular distribtition of photopredissociation fragrrents from CH,I+, M. Tadjeddine, G. Bouchoux, L. Malegat, J. Durup, C. Pemot and J. Weiner and molecukzr beams Charge transfer between helium ions and metastable helium, R.H. Neynaber and S.Y. Tang Rnamic constraints associated with the formation of SiS(a 32+) from the Si-OCS chemiluminescent reaction, J.L. Gale and G.J. Green Dynamics of ion-molecule processes: a crossed-beam study of the reaction I3+(3P) + Hz -z BHf + I-I, 3. Friedrich and 2. Herman
69 (1982) 109 69 (1982) 115
69 (1982) 423
69 (1982)
27
69 (1982)
35
69 (1982)
45
69 (1982)
61
69 (1982) 459 69 (1982) 473
69 (1982) 229
Atomir
Time-resolvedexperiments Transient intermediates in the flash photolysis of mercury vapour. Dimers, irimers and the enigmatic 2480 a bands, A.B. Callear ad K.-L. Lai Electron impact dissociation of CH4(CD4)z laser induced fluorescence of product CH*(CD+), B.H. Mahan and A. O’Keefe
69 (1982) 213 69 (19X2) 357 69 (1982) 433
69 (1982)
1
69 (1982)
35
AbsoIute rate constants for the reactions of CH(X2ii) with NO, N20, NOZ, and N2 at room temperature, SS. Wagai, T. Car&ton, S.V. Filseth and CM. Sadowski Correlation of positronium yield with excess electron mobility in liquid neopentane, FM Jacobsen, O.E. Mogensen and G. Trmrpy Modeling of the fast photoisomerisation process in polymetbine dyes, S.K. Rentsch Observation of the inverse isotope effect in a tunnel electron transfer, A.I. Fiksel, V.N. Parmon and K.I. Zamaraev 02 photdysis at 248 nm and O(lD,) quenching by H20, CH4, Hz, and N20: 0(3P~) yields, PH. Wine and A.R. Ravishankara Observation of new bands in the N2 Herman infrared system and kinetic study of its formation in a pulsed&charge apparatus, I. Nadler, A. Rotem and S. Rosenwaks
Correlation of positronium yield with excess electron mobility in liquid neopentane, F.M. Jacobsen, O.E. Mogensen and G. Trumpy The influence of electrostatic interactions on Franck-Condon factors in electron transfer processes, J.W. van Leeuwen and YX. Levine
69 (1982)
61
69 (1982) 69 (1982)
71 81
69 (1982) 135 69 (1982) 365 69 (1982) 375
69 (1982)
71
69‘(1982)
89
scattering Binary (e, 2e) spectroscopy and momentum-space chemistry of COz, J.P.D. Cook and CB. Brion Dynamics of ion-molecule processes: a crossed-beam study of the reaction B+(3P) + H2 + BH+ t H, B. Friedrich and Z. Herman
69 (1982) 339 69 (1982) 433
OBJECTS Bulk systems
A + X fluorescence spectra of CH30 and C$H,O generated by the ArF laser photolysis of alkyl nitrites, T. Ebata, H. Yanagishita, K. Obi and I. Tanaka Master equation descriptioa of the multiphoton decomposition of ethyl acetate, J.E. Eberhardt, R.B. Knott, A.W. Pryor and R.G. Gilbert Effects of relativity in the He(I) photoelectron spectrum of C14, G. Jonkers, C.A. de rLange and J.G. Snijders He(I) photoelectron spectroscopy of tetraiodoethylene (C214), G. Jonkers, S.M. van der Kerk, R. hfooyman, C.A. de Lange and J.G. Snijders On the calculation of classical vibrational enerw exchange, J.P. Gibbons and J.D. Stettler Further deveiopment and application of the ECS scaling theory: non-linear molecules, A.M. Richard and A.E. DePristo Quasiclassical trajectory calculations for H ? H2 (u = 0, 1) on a potential energy surface from force field data, AJ.C. Varandas Determination of the rate constant of reaction of N(%,,) with NO2 using resonance tluorescence in a discharge flow system, MAA. Clyne and Y. Ono
69 (1982)381
Correlation of positronium yield with excess electron mobility in liquid neopentane, FM. Jacobsen, OB. hfogensen and G. Trumpy
69 (1982)
69 (1982)
27
69 (1982)
45
69 (1982) 109 69 (1982) 115 69 (1982) 141 69 (1982) 273 69 (1982) 295
71
Subject in&e-r
490
sdzl tiuns Modeling of the fast photoisomerisation process in polymethine dyes, SK. Rentsch Mo!ecular dynamics simulations of restricted primitive model 1: 1 electrolytes, D.&f. Heyes Steric factor in diffusion-controlled chemical reactions, V.M Berdnikov and A.B. Doktorov A comparison of tunneling transfer theories for asymmetric isomerization K%XtiOPs, Psi. Cribb, S. Nordhohn and N.S. Hush
69 (1982)
XI
69 (1982) 15.5 69 (1982) 205 69 (1982) 259
Ckystals Theory of tunnel transitions of atoms in solids, L1. Trakhtenberg, V.L. Klochikhin and SYa. Pshezhetsky Overtone spectra of crystalline CaW04: vibrational exciton density-of-states functions, SD. Colson and KN. Wong Investigation of the Stark effect on the lowest triplet states of I-indanone single crystals, J.S. Pate1 and D_M. Hanson High-resolution diode laser spectroscopy ofC0 in solid N2: effect of dipolar broadening on vibrational transitions, H. Dubost, R. Charneau and M. Harig ENDOR of quintet-state bicarbenes in diacetylene single crystals, W. Hartl and M. Schwoerer Ghsses and liquid cvstals The influence of electrostatic interactions on Franck-Condon processes, J.W. van Leeuwen and YX. Levine Observation of the inverse isotope effect in a tunnel electron VN. Parmon and K-1. Zamaraev Dielectrics The influence of electrostatic interactions on Franck-Condon processes, J.W. van Leeuwen and YX. Levine Microscopic
factors in electron
69 (1982) 121 69 (1982) 223 69 (?982) 249 69 (1982) 389 69 (1982) 443
transfer 69 (1982)
transfer,
89
A-1. Fiksel, 69 (1982) 135
factors in electron
transfer 69 (1982)
89
systems
Charge transfer between helium ions and metastable helium, R.H. Neynaber and S.Y. Tang Resonances in photoionization cross sections. A comparison of pseudo-bound-state methods, C.E. Woodward, S. Nordhohn and C. Bacskay Determination of the rate constant of reaction ofN(‘$& with NO, using resonance fluorescence in a discharge flow system, M&A. Clyne and Y. Ono
69 (1982) 213 69 (1982) 267 69 (1982) 381
Molecules Optical activity due to deuterium substitution in adarnantanone and adamantanethione. Barrier to inversion in the l~m* excited state, P.H. Schippers and H.P.J.M. Dekkers Master equation description of the rnuhiphoton decomposition of ethyl acetate, JE. Eberhardt, R.B. Knott, A.W. Pryor and R.G. Gilbert Absolute rate constants for the reactions of CH(XzIl) with NO, N20, NO,, and N7 at room temperature, S.S. Wag& T. Carrington, S.V. Fjlseth and CM. Sadowski Modeling of the fast photoisomerisation process in polymethine dyes, SK. Rentsch Effects of reIativity in the He(I) photoelectron spectrum of CI,, G. Jonkers, C-4. de Lvlge and J.G. Snijders He(I) photoe!ectron spec:roscopy of tetraiodoethylene (C21q), G. Jonkers, SM. van tier Kerk, R. Mooyman, CA. de Lange and J.G. Snijders
69 (1982)
19
69 (1982)
45
69 (1982) 69 (1982)
61 81
69 (1982) 109 69 (1982) 115
Subject index
Vibronic effects in photolysis of metalioporphyrins and hemoproteins, LB. Bersuker, SS. Stavrov and B.C. Vekhter Semi-empirical potential energy surfaces for the linear HXY (?& Y = F, Cl, Br, I) systems, I. Last Angular distribution of photopre&sociation fragments from CH31+, M. Tadjeddine, G. Bouchoux, L. Malegat, J. Durup, C. Pemot and 3. Weiner investigation of the Stark effect on the lowest triplet states of I-indanone single crystals, J.S. Pate1 and D.&f. Hanson Further development and application of the ECS scaling theory: non-linear molecules, A.M. Richard and A.E. DePristo MCSCF and multi-reference CI calculations of the potential energy surface for ground state H20, W.P. Kraemer, B-0. Roos and P.E?& Siegbahn Ab initio caIcuIation of nuclear spin-spin coupling constant of HF and CN-, M.T. Rayez, E. Neumann, J. Hoarau and F. Achard BinG(e, 2e) spectroscopy and momentum-space chemistry of COZ, J.P.D. Cook and C.E. Brian Dynamic constraints associated with the formation of Sis(a 3 xi) from the Si-OCS cherduminescent reaction, J.L. Gole and G J. Green Observation of new bands in the N, Herman infrared system and kinetic study of its formation in a pulsed-discharge apparatus, I. Nadler, A. Rotem and S. Rosenwaks Photoelectron angular distribution and assignments of photoelectron spectra of nitrogen dioxide, nitromethane and nitrobenzene, S. Katsumata, H. Shiromaru, K. Mitani, S. Iwata and K. Kimura On statistics of an ensemble of oscillators under excitation. III. Quantum non-linear oscillators with fast phase relaxation in a non-monochromatic external field, V.N. Sazonov, A.A. Stuchebrukhov and S.V. Zatsepin Theoretical probabilities of V-V energy transfer: CO with isotopes ofN* and deactivation of laser-excited SO,, V. Revelant and C. Manzanares I.
A + X fluorescence spectra of CH,O and C2H50 generated by the ArF laser photolysis of alkyl nitrites, T. Ebata, H. Yanagishita, K. Obi and I. Tanaka Absolute rate constants for the reactions of CH(X2II) with NO, N,O, N02, md N2 at room temperature, S.S. Wagal, T. Carrington, S.V. Filseth and CM. Sadowski 0, photoIysis at 248 nm and O(lD,) quenching by HzO, CH4, H2, and NzO: O(;PJ) yields, PH. Wine and A.R. Ravishankara The reaction of F atoms with acetaldehyde and ethylene oxide. Vibrational spectra of the CH,CO and CH2CHO free radicals trapped in solid argon, ME. Jacox
491
69 (1982) 165 69 (1982) a93 69 (1982) 229 69 (1982) 249 69 (1982) 273 69 (1982) 305 69 (1982) 323 69 (1982) 339 69 (1982) 3.57 69 (1982) 375
69 (1982) 423
69 (1982) 459 69 (1982) 473
69 (1982)
27
69 (1982)
61
69 (1982) 565 69 (1982j 407
Overtone spectra of crystalline CaW04: bibrational exciton density-ofstates functions, SD. CoIson and K.N. Wong Investigation of the Stark effect on the lowest triplet states of I-indanone single crystals, J.S. Patef and DM. Hanson
69 (1982) 249
Defects and impurities Theory of tunnel transitions of atoms in solids, L.I. Trakhtenberg, V.L. Klochikhin and S_Ya. Pshezhetsky
69
69 (1982) 223
(1982) 121
392
Subject index
Ions and complexes
Electron impact dissociation of CH4(CD4): laser induced fluorescence of product CH+(CDf), BN. Mahan and A. O’Keefe Molecular dynamics simulations of restricted primitive model 1 :I electrolytes, D.M. Heyes Strong non-Condon effects induced by electron correlation: N20t, H. KBppd, L.S. Cederbaum and W. Domcke _AnguIardistribution of photopredissociatioo fragments from CH$, M. Tadjeddine, G. Bouchoux, L. Malegat, J. Dump, C. Pemot and J. Weiner Relativistic calculation of the electronic structure of I&-, A. Gourjot and H. Chermette Dynamics of ion-molecule processes: a crossed-beam study of the reaction B’(3P) + H2 + BH+ + H, B. Friedrich and Z. Herman
69 (1982) 35 69 (1982) 155 69 (1982) 175 69 (1982) 229 69 (1982) 329 69 (1982) 433
Dimen and molecular cluster
Transient intermediates in the flash photolysis of mercury vapour. Dimers, trimers and the enigmatic 2480 A bands, A.B. Callear and K.-L. Lai Relativistic calculation of the electronic structure of IrC$, A. Goursot and H. Chermette Polymers and biological macromolecules Vibronic effects in photolysis of metalloporphyrins and hemoproteins, LB. Bersuker, S.S. Stavrov and B.G. Vekhter ENDOR of quintet-state bicarbenes in diacetylene single crystals, W. Hartl and M. Schwoerer
69(1982)
1
69 (1982) 329
69 (1982) 165 69 (1982) 443
PHENOMENA ritomic and molecdar structure
Transient intermediates in the flash photolysis of mercury vapour. Dimers, trimers and the enigmatic 2480 ii bands, A.B. Callear and K.-L. Iai x’ibrorric effects in photolysis of metalloporphyrins and hemoproteins, I.B. Bersuker, S.S. Stavrov and B.G. Vekhter An investigation of basis sets and basis set superposition error in transition metals using frozen core and frozen orbital techniques, L. Pettersson and U. Wahlgren MCSCF and multi-reference CI calculations of the potential energy surface for ground state HZO, WP. Kraemer, B.O. Roos and P-EM. Siegbatm Relativistic calculation of the electronic structure of IrClz-, A. Goursot and H. Chermette %I(e, 2r) spectroscopy and momentum-space chemistry of CO2, J.F’.D. Cook and C.E. Brian ENDOR of quintet-state bicarbenes in diacetylene single crystals, W. Hart1 and M. Schwoerer Energy levels Effects of relativity in the He(I) photoelectron spectrum of Cl,, G. Jonkers, CA. de Lange and J.G. Snijders He(I) photoelectron spectroscopy of tetraiodoethylene (C211), G. Jonkers, SM. van der Kerk, R. Prlooyman, C.A. de Lange and J.G. Snijders Overtone spectra of crystalline CaWO, : vibrational exciton density-of-states functions, SD. Colson and K.N. Wang Relativistic calculation of the electronic structure of IrCla-, A. Goursot and H. Chermette The reaction of F atoms with acetaldehyde and e*&ylene oxide. Vibrational spectra of the CH$O and CH&HO free radicals trapped in solid argon, M.E. Jacox
69 (1982)
1
69 (1982) 165 69 (1982) 185 69 (1982) 305 69 (1982) 329 69 (1982) 339 69 (1982) 443
69 (1982) 109 69 (1982) 115 69 (1982) 223 69 (1982) 329 69 (1982) 407
493
Electric and magnetic propertics Investigation of the Stark effect on the lowest triplet states of I-indanone single crystals, JS. Pate1 and D.M. Hanson Ab inltio calculation of nuclear spin-spin coupling constant of HF and CN- , MT. Rayez, E. Neumann, J. Hoarau and F. Achard Spectral bandshapesazd intensities Strong nonCondon effects induced by electron correlation: N20i, H. Kijppel, L.S. Cederbaum and W. Domcke High-resolution diode laser spectroscopy of CO in solid N2 : effect of dipolar broadening on vibrational transitions, H. Dubost, R. Chameau and M. Harig Relaxation phenomena Modeling of the fast photoisomerisation process in polymethiie dyes, SK. Rentsch Further development and application of the ECS scaling theory: non-linear molecules, AX Richard and A.E. DeFristo High-resolution diode laser spectroscopy of CO in solid N2 : effect of dipolar broadening on vibrational transitions, H. Dubost, R. Chameau and hf. Harig On statistics of an ensemble of oscillators under excitation. III. Quantum non-linear oscillators with fast phase relaxation in a non-monochromatic external field, V.N. Sazonov, A.A. Stuchebrukhov and S.V. Zatsepin Energy transfer and conversion Master equation description of the multiphoton decomposition of ethyl acetate, J.E. Eberhardt, R.B. Knott, A.W. Pryor and R.G. Gilbert Rotational rainbows in atom-rigid rotor scattering: a comparison of the classical IOS approximation with classical trajectory calculations, H.J. Korsch and D. Poppe On the calculation of classical vlbrationd energy exchange, J.P. Gibbons and J.D. Stettler Further development and application of the ECS scaling theory: non-linear molecules, A.M. Richard and AX. DePristo Dynamic constraints associated with the formation of SiS(a 32’) from the SGOCS chemiluminescent reaction, J.L. Gole and G J. Green O3 photolysis at 248 nm and O(lD,) quenching by H20, CH4, HZ, and N20: 0(3P~) yields, PH. Wine and A.R. Ravishankara Observation of new bands in A&eN, Herman infrared system and kinetic study of its formation in a pulsed-discharge apparatus, I. Nadler, A. Rotem and S. Rosenwaks Theoretical probabilities of V-V energy transfer: CO with isotopes ofN, and deactivation of Iaser-excited SOa, V. Revelant and C. Manzanares I. Reactions Master equation description of the multiphoton decomposition of e&&y1acetate, J.E. Eberhardt, R.B. Knot?, A.W. Pryor and R-G. Gilbert Absolute rate constants for the reactions of Cl!@ 211) with NO, NZO, NOT, and N2 at room temperature, S.S. Wagal, T. Carrlngton, S.V. Filseth and CM.. Sadowski Semi-empirical potential energy surfaces for the linear HXY (X, Y = F, Cl, Br, 1) systems, I. Last Steric factor in diffusion-controlled chemical reactions, V_M. Berdnikov and A.B. Doktorov Charge transfer between helium ions and metastable helium, R.H. Neynaber and S.Y. Tang
69 (1982)
249
69 (1982) 32.3
69 (1982) 175 69 (1982) 389
69 (1982)
81
69 (1982) 273 69 (1982) 389
69 (1982) 459
.,’
69 (1982)
45
69 (1982) 99 69 (1982) 141 69 (1982) 273 69 (1982) 357 69 (1982) 365 69 (1982) 375 69 (1982) 473
69 (1982)
45
69 (1982)
61
69 (1982) 193 69 (1982) 205 69 (1982) 213
494
Subj2ctindex
A
comparison of tunneling transfer theories for asymmetric isomerization reactions, P.H. Cribb, S. NordhoIm and N.S. Hush Quasiclassical trajectory calculations for Hi H2(u = 0, I) on a potential energy surface from force field data, A.J.C. Vamndas Dynamic constraints associated with the formation of SIS(a 3z1) from the Si-OCS chemiluminescent reaction, J.L. Gale and G.J. Green O3 photo1ysi.s at 248 nm and O(lD,> quenching by HzO, CH,, HZ, and N&X O(aPJ) yields, P.H. Wine and A.R. Ravishankara Determination of the rate constant of reaction of N(%& with NO2 using resonance fluorescence in a disckge flow system, M.A.A. Clyne and Y. On0 The reaction of F atoms with acetyldehyde and ethylene oxide. Vibrational spectra of the CH,CO and CH-&HO free radicals trapped in solid argon, 1M.E.Jacox Dynamics of ion-molecule processes: a crossed-beam study of the reaction B’(3P) + H, -+ BHt i H, B. Friedrich and Z. Herman ENDOR of quintet-state bicarbenes in diacetylene single crystals, W. Hartl and M. Schwoerer
69 (1982) 259 69 (1982) 295 69 (2982) 357 69 (1982) 365 69 (1982) 381 69 (2982) 407 69 (1982) 433 69 (I 982) 443
Intei-inoIecular interactions The intluence of electrostatic interactions on Franck-Condon
factors in electron transfer processes, J.W. van Leeuwen and YK. Levine Rotational rainbows in atom-rigid rotor scattering: a comparison of the classical IOS approximation with classical trajectory calculations, H.J. Korsch and D. Poppe On the calculation of classical vibrational energy exchange, J.P. Gibbons and I.D. Stettler Overtone spectra of crystalline CaWO,: vibrational exciton density-of-states functions, S.D_ Colson and K.N- Wong Quasiclassical trajectory calculations for H + H3(u = 0, 1) on a potential energy surface from force field data, A.J.C. Varandas EClCStF and multi-reference CT calculations of the potential energy surface for ground state H,O, W.P. Kraemer, B-0. Roes and P.E.M. Siegbahn Observation of new bands in the N2 Herman infrared system and kinetic study of its formation in a pulsed-discharge apparatus, I. Nadler, A. Rotem and S. Rosenwalcs High-resolution diode laser spectroscopy of CO in solid N2: effect of dipdar broadening on vibrational transitions, II. Dubost, R. Charneau and IM.Harig Theoretical probabilities of V-V energy transfer: CO with isotopes of Nz and deactivation of laser-excited SO,, V. Revelant and C. Manzanares I.
69 (1982)
89
69 (1982) 99 69 (1982) 141 69 (1982)
223
69 (1982) 295 69 (1982) 305 69 (1982) 375 69 (1982) 389 69 (1982) 473
&nic_and excited state phenorneua A -+ X fluorescence spectra of CHa 0 and C2Hs0 generated by the ArF Iaser photolysis of
alkyl nitrites, T. Ebata, H. Yanagishlta, K. Obi and I. Tanaka Electron impact dissociation of CHe(CD& laser induced fluorescence of product CH+(CD+), B.H. Mahan and A. O’Keefe Correlation of positronium yield with excess electron mobility in liquid neopentane, FM. Jacobsen, O.E. Mogensen and G. Trumpy Vibronic effects in photolysis of metalloporphyrins and hemoproteins, LB. Bersuker, SS. Stavrov and B.G. Vekhter Angular distribution of photopredissociation fragments from CH-$*, M. Tadjeddine, G. Bouchoux, L. hfalegat, J. Durup, C. Pemot and J. Weiner Binary (e, 2e) spectroscopy and momentum.space chemistry of COa, J.P.D. Cook and C.E. Brian
69 (1982)
27
69 (1982)
35
69 (1982)
71
69 (1982) 165 69 (1982) 229 69 (1982) 339
Subject
index
495
Ionization
Resonances in photoionization cross sections. A comparison of speudo-bound-state methods, CE. Woodward, S. Nordholm and G. Bacskay Phoioelectron angular distribution and assignments of photoelectron spectra of nitrogen dioxide, nitromethane and nitrobenzene, S. Katsumata, H. Shiromarn, K. Mi’ti, S. Iwata and K. Kimura
69 (1982) 267
69 (1982) 423
Isotope ef”cts
Optical activity due to deuterium substitution in adatnantanone and adamantanethione. Barrier to inversion in the lmr* excited state, P.H. Schippers and H9.J.M. Dekkers Theory of tunnel transitions of atoms in solids, L.I. Trakhtenberg, V.L. Wochikhin and S.Ya. Pshezhetsky Observation of the inverse isotope effect in a tunnel electron transfer, A-1. Fiksel, V.N. Pannon and K.I. Zamaraev A comparison of tunneling transfer theories for asymmetric isomerization reactions, P.H. Cribb, S. Nordholrn and N.S. Hush
69 (1982)
19
69 (1982) 121 69 (1982) 135 69 (1982) 259
@ptical actiuity
Optical activity due to deuterium substitution in adarnantanone and adamantanethione. Barrier to inversion in the Inn* excited date, P.H. Schippers and H.P.J.M. Dekkers
69 (1982)
19
Noniinem
o$hrl effects Qn statistics of an ensemble of oscillators under excitation. III. Quantum non-linear oscillators with fast phase relaxation in a non-monochromatic external field, V.N. Sazonov, AA. Stuchebrukhov and S.V. Zatsepin
Thmrport of charge and mass Theory of tunnel transitions of atoms in solids, L.I. Trakhtenberg, V.L. Klochikhin and S.Ya. Pshezhetsky Observation of the inverse isotope effect in z tunnel electron transfer, A.I. Fiksel, V-N. Parmon and K.I. Zamaraev
69 (1982) 459
69 (1982) 121 69 (3982) 135