TITLE

Variational transition state theory for electron transfer reactions in solution

AUTHOR(S)
Benjamin, Ilan; Pollak, Eli
PUB. DATE
November 1996
SOURCE
Journal of Chemical Physics;11/22/1996, Vol. 105 Issue 20, p9093
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Variational transition state theory is used to compute the rate of nonadiabatic electron transfer for a model of two sets of shifted harmonic oscillators. The calculations provide new insight on the suitability of the energy gap as a reaction coordinate. The relationship to the standard generalized Langevin equation model of electron transfer is established, and provides a framework for the application of variational transition state theory in a realistic simulation of electron transfer in a microscopic (nonlinear) bath. © 1996 American Institute of Physics.
ACCESSION #
7639865

 

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