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Electric moments, polarizabilities and hyperpolarizabilities.
Chemical Physics 102 (1986) 28 1 North-Holland, Amsterdam
ERRATA
K. Rynefors and S. Nordhohn, A new approach to angular momentum constraints in bimolecular reactions. Chem. Phys. 95 (1985) 345. Our attention has been drawn to the relevance of the work of Chesnavich [l] to our above paper. Chesnavich had, in fact, already considered the concepts of minimal kinetic energy for faed J and maximal f for fured E and obtained relations similar to some that we derived and used. We wish readers of our article to take note of this earlier work of Chesnavich. He confined himself to triatomic molecules and proposed his results for the mmhnal kinetic energy or maximal angular momentum on the basis of conceptual arguments. However, the central result that the optimal values of these quantities were obtained for rigid-body motion was not proven. This intuitively plausible result can be understood as an energy minimization by elimination of all internal motions of the structure. A proof is contained in our analysis which applies to polyatomic molecules in general though our illustrative applications dealt with triatomic molecules. The numerical procedures and the type and format of the ~fo~ation presented were quite distinct from those of Chesnavich for similar molecular models. [l] W.J. Chesnavich, J. Chem. Phys. 77 (1982) 2988.
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G. Maroulis and D.M. Bishop, Electric moments, polar&abilities and hyperpolarizabilities for BH(X lx’) and CHf(X lx’). Chem. Phys. 96 (1985) 409. The last sentence of paragraph 1 should read: But recent experimental work [5] eonfms that the approbations used in ref. [4] invalidate much of the utility of that work.
ERRATA
K. Rynefors and S. Nordhohn, A new approach to angular momentum constraints in bimolecular reactions. Chem. Phys. 95 (1985) 345. Our attention has been drawn to the relevance of the work of Chesnavich [l] to our above paper. Chesnavich had, in fact, already considered the concepts of minimal kinetic energy for faed J and maximal f for fured E and obtained relations similar to some that we derived and used. We wish readers of our article to take note of this earlier work of Chesnavich. He confined himself to triatomic molecules and proposed his results for the mmhnal kinetic energy or maximal angular momentum on the basis of conceptual arguments. However, the central result that the optimal values of these quantities were obtained for rigid-body motion was not proven. This intuitively plausible result can be understood as an energy minimization by elimination of all internal motions of the structure. A proof is contained in our analysis which applies to polyatomic molecules in general though our illustrative applications dealt with triatomic molecules. The numerical procedures and the type and format of the ~fo~ation presented were quite distinct from those of Chesnavich for similar molecular models. [l] W.J. Chesnavich, J. Chem. Phys. 77 (1982) 2988.
***
G. Maroulis and D.M. Bishop, Electric moments, polar&abilities and hyperpolarizabilities for BH(X lx’) and CHf(X lx’). Chem. Phys. 96 (1985) 409. The last sentence of paragraph 1 should read: But recent experimental work [5] eonfms that the approbations used in ref. [4] invalidate much of the utility of that work.