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A stochastic theory of chemical reaction rates. II. Applications |
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| Authors: | Bernard Gaveau James T. Hynes Raymond Kapral Michel Moreau |
| Affiliation: | (1) Mathématiques, Université P. et M. Curie, 75252 Paris, France;(2) Department of Chemistry and Biochemistry, University of Colorado, 80309-0215 Boulder, Colorado;(3) Chemical Physics Theory Group, Department of Chemistry, University of Toronto, M5S 1A1 Toronto, Ontario, Canada;(4) Laboratoire de Physique Théorique des Liquides, Université P. et M. Curie, 75252 Paris, France |
| Abstract: | A formalism developed for the treatment of chainlike models of reaction dynamics is applied to simple reacting systems and generalized to treat a reaction with a branching process. The models can be solved exactly, and the overall rates of the reactions are studied as a function of the rates arising from different dynamical regimes involved in the microscopic mechanisms. |
| Keywords: | Stochastic models chemical reactions rate constants isomerization barrier crossings |
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