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Schrödinger equation for strongly interacting electron-transfer systems

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.

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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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Marcus, R. A.0000-0001-6547-1469
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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Office of Naval Research (ONR)UNSPECIFIED
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Caltech Noyes Laboratory of Chemical Physics8476
Issue or Number:4
Record Number:CaltechAUTHORS:20150514-110110841
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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
Deposited By: Tony Diaz
Deposited On:14 May 2015 18:19
Last Modified:10 Nov 2021 21:51

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