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

M. V. Basilevsky, M. V. Vener

Karpov Institute of Physical Chemistry

Abstract: Theoretical studies of the dynamics and kinetics of proton and hydrogen atom transfer processes occupy a special place in the kinetics of chemical reactions. The transition state theory is often inapplicable to these processes due to substantial quantum effects. Different approaches to the description of these reactions are discussed and compared. Calculations for a number of particular condensed-phase reactions involving proton or hydrogen atom transfer are analysed. Data of calculations of potential energy surfaces for the considered systems and the results of experimental kinetic and spectroscopic studies are presented.

Received: 03.10.2002

DOI: 10.1070/RC2003v072n01ABEH000774

 English version: Russian Chemical Reviews, 2003, 72:1, 1–33

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