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Monte Carlo simulation study on reorganization energy of electron-transfer reactions in polar solution

✍ Scribed by Yoshitaka Enomoto; Toshiaki Kakitani; Akira Yoshimori; Yasuyo Hatano; Minoru Saito

Publisher
Elsevier Science
Year
1991
Tongue
English
Weight
463 KB
Volume
178
Category
Article
ISSN
0009-2614

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✦ Synopsis

The reorganization energy of electron-transfer reactions as a function of the distance between donor and acceptor molecules is calculated by Monte Carlo simulation. It is found that the reorganization energy of charge-separation reactions is appreciably different from that of charge-recombination reactions. The average of these values agrees very well with the value obtained by a mean-spherical-approximation theory.

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