Chemical and Electrochemical Electron-Transfer Theory
TL;DR: In this article, a review of electron transfer reactions is presented, focusing on the absence of bond rupture in the reaction step, which is a unique feature of purely electron-transfer reactions.
Abstract: One of the active areas in reaction kinetics during the post-war years has
been that of electron-transfer reactions. These reactions constitute one type
of oxidation-reduction process and include both chemical and electrochemical
systems. Many rate constants have now been measured (1-8) and
they have stimulated a variety of theoretical studies (9-37). The field has
been characterized by a strong interplay of theory and experiment, which
now includes the testing of theoretically predicted quantitative correlations
(34). Because of a certain unique feature of the purely electron-transfer
reactions--the absence of bond rupture in the reaction step--these correlations
are unusual. They do not have the arbitrary parameters that occur
in theoretical studies of most other reactions in chemical kinetics. This review
will be limited to purely electron transfer reactions.
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TL;DR: This paper presents a meta-modelling procedure called "Continuum Methods within MD and MC Simulations 3072", which automates the very labor-intensive and therefore time-heavy and expensive process of integrating discrete and continuous components into a discrete-time model.
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Abstract: Jenny Schneider,*,† Masaya Matsuoka,‡ Masato Takeuchi,‡ Jinlong Zhang, Yu Horiuchi,‡ Masakazu Anpo,‡ and Detlef W. Bahnemann*,† †Institut fur Technische Chemie, Leibniz Universitaẗ Hannover, Callinstrasse 3, D-30167 Hannover, Germany ‡Faculty of Engineering, Osaka Prefecture University, 1 Gakuen-cho, Sakai Osaka 599-8531, Japan Key Lab for Advanced Materials and Institute of Fine Chemicals, East China University of Science and Technology, Shanghai 200237, China
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