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The book is devoted to the stochastic approach to the theoretical description of chemical reaction kinetics in condensed phase, based on Langevin or Fokker-Planck equations for the motion along the reaction coordinate. This method is often opposed to the "dynamic" one, used in the works on quantum mechanical theory of non-adiabatic reactions, although in fact they are not antagonists. The goal of the book is to describe both approaches and to demonstrate the relationship between them. The book involves an introduction into stochastic methods for charge transfer reactions and presents a detailed comparison of new approaches with more traditional ones.
The book involves an introduction into stochastic methods for charge transfer reactions and presents a detailed comparison of new approach with a more traditional one. Detailed and using various analogies and cross-references, it also presents many results and final equations which can be used in the scientific studies.
The presentation of the major material is rather simple and detailed, and uses various analogies and cross-references to different parts of the book. This makes the book easy for the students. It will be also useful for the postgraduates and researchers working in chemical kinetics, since it involves many results and final equations, and may be used in the teaching courses and scientific studies.
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Preface - Introduction - General description of stochastic processes: Stochastic processes in life and nature - Distribution functions - Markovian process - Chemical reactions in condensed phase: a stochastic view: Stochastic approach to chemical reaction kinetics - Classical transitions over one-dimensional potential barrier - Stochastic views of electron transfer recations - Adiabatic and non-adiabatic electron transitions in stochastic approach - Classical stochastic motion in multidimensional reactive mode set - Classical transitions in the two-mode system - Application of multidimensional stochastic description to the electron transfer - Proton transfer - Atom and atomic group transfer in polar solvent - Dynamic models of stochastic behaviour: Stochastic behavior evolving from dynamic models - Effective hamiltonian method in electron transfer processes - Ionic dynamics in polar solvent - Rates of non-adiabatic reactions - Equivalence of stochastic and dynamic description - Dynamic and stochastic effects in bridge-assisted electron transfer - Appendices A-N, References.
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"Ce livre rencontre pleinement l'objectif de la collection qui est de fournir des textes qui se situent entre ceux des manuels classiques et ceux des revues scientifiques. Il permet sans aucun doute au lecteur intéressé de se familiariser avec les bases fondamentales de ce sujet de recherche passionnant qu'est aujourd'hui la théorie de la cinétique chimique en solution. "
Revue des questions scientifiques. J.M. André
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