Email this article Analysis of electrochemical electron transfer mechanisms in molten salts by the frontier orbital method
- Authors: Kremenetsky V.G.1, Nikolaev A.I.1, Kuznetsov S.A.1
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Affiliations:
- Tananaev Institute of Chemistry and Technology of Rare Elements and Mineral Raw Materials, Kola Scientific Center
- Issue: Vol 475, No 1 (2017)
- Pages: 122-125
- Section: Physical Chemistry
- URL: https://journals.rcsi.science/0012-5016/article/view/153685
- DOI: https://doi.org/10.1134/S001250161707003X
- ID: 153685
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Abstract
It has been demonstrated that the application of the frontier orbital method to the quantum-chemical analysis of possible variants of electron transfer in electrochemical systems makes it possible to sharply narrow the search for the transition state and to reduce computational burden by several orders of magnitude. The high informativity of the method allows us to recommend it as a tool for verifying any hypotheses about the mechanism of charge transfer in electrochemical systems.
About the authors
V. G. Kremenetsky
Tananaev Institute of Chemistry and Technology of Rare Elements and Mineral Raw Materials, Kola Scientific Center
Author for correspondence.
Email: kreme_vg@chemy.kolasc.net.ru
Russian Federation, Apatity, Murmansk oblast, 184209
A. I. Nikolaev
Tananaev Institute of Chemistry and Technology of Rare Elements and Mineral Raw Materials, Kola Scientific Center
Email: kreme_vg@chemy.kolasc.net.ru
Russian Federation, Apatity, Murmansk oblast, 184209
S. A. Kuznetsov
Tananaev Institute of Chemistry and Technology of Rare Elements and Mineral Raw Materials, Kola Scientific Center
Email: kreme_vg@chemy.kolasc.net.ru
Russian Federation, Apatity, Murmansk oblast, 184209
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