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1996 | 89 | 5-6 | 727-734
Article title

Role of Inertial Effects in Electron Transfer Kinetics

Authors
Content
Title variants
Languages of publication
EN
Abstracts
EN
The electron transfer rates at the steady state are evaluated in terms of the Gaussian wave packet motion on free energy curves in the two- and three-surface models in the presence of inertial effects. The autocorrelation functions of the solvent polarization coordinate are fitted to the results of recent molecular dynamics simulations. It is found that the inertial effects are particularly important for the electron transfer processes in acetonitrile and water. They constitute an impeding factor in the wave packet motion. The neglect of the inertial part of the solvent autocorrelation function gives underestimation of the electron transfer rate coefficient.
Keywords
EN
Year
Volume
89
Issue
5-6
Pages
727-734
Physical description
Dates
published
1996-05
received
1996-02-13
(unknown)
1996-04-23
References
Document Type
Publication order reference
YADDA identifier
bwmeta1.element.bwnjournal-article-appv89z516kz
Identifiers
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