Theoretical investigations of prton and hydrogen atom transfer in the condensed phase

摘要

Theoretical stduies of the dynamics and kinetics of the proton and hudrogen atom transfer processes occupy a special placein the kinetics of chemical reactions.The transition state theory i often inapplicable to these process due to substantial quatum effects.Different appraches ot teh description of these reactions are discussed and compared.Calculations for a number of particular condensed-phase processes involving proton or hydrogen atom transfer are analysed.Data of calcualtons of potential energy surfaces for hte considered systems and the results of experimentla kinetics and spectroscopic studies of these systems are presented.