Marcus, R. A. (1992) Schrödinger equation for strongly interacting electron-transfer systems. Journal of Physical Chemistry, 96 (4). pp. 1753-1757. ISSN 0022-3654. doi:10.1021/j100183a048. https://resolver.caltech.edu/CaltechAUTHORS:20150514-110110841
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Abstract
The Schrödinger equation for strongly interacting electron-transfer systems is described, the eigenvalues depending on a dielectric polarization function P(r) for the medium, on the internal coordinates q, and, when the electron transfer is coupled to a dissociation, on a generalized coordinate Q. A choice of the reaction coordinate for the variation of P(r), q, and Q, so as to reach the saddle-point, and the calculation of the free energy of activation are described. The question of suitable data on the solvent dependence of strong-overlap systems is also considered.
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Additional Information: | © 1992 American Chemical Society. Received: July 23, 1991. It is a pleasure to acknowledge helpful discussions with David Chandler, Casey Hynes and Hyung Kim and to acknowledge the support of this research by the Office of Naval Research. | |||||||||
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Issue or Number: | 4 | |||||||||
DOI: | 10.1021/j100183a048 | |||||||||
Record Number: | CaltechAUTHORS:20150514-110110841 | |||||||||
Persistent URL: | https://resolver.caltech.edu/CaltechAUTHORS:20150514-110110841 | |||||||||
Official Citation: | Schrodinger equation for strongly interacting electron-transfer systems R. A. Marcus The Journal of Physical Chemistry 1992 96 (4), 1753-1757 DOI: 10.1021/j100183a048 | |||||||||
Usage Policy: | No commercial reproduction, distribution, display or performance rights in this work are provided. | |||||||||
ID Code: | 57529 | |||||||||
Collection: | CaltechAUTHORS | |||||||||
Deposited By: | Tony Diaz | |||||||||
Deposited On: | 14 May 2015 18:19 | |||||||||
Last Modified: | 10 Nov 2021 21:51 |
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