Enviar artigo por via de e-mail Analysis of electrochemical electron transfer mechanisms in molten salts by the frontier orbital method
- Autores: Kremenetsky V.G.1, Nikolaev A.I.1, Kuznetsov S.A.1
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Afiliações:
- Tananaev Institute of Chemistry and Technology of Rare Elements and Mineral Raw Materials, Kola Scientific Center
- Edição: Volume 475, Nº 1 (2017)
- Páginas: 122-125
- Seção: 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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Resumo
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.
Sobre autores
V. Kremenetsky
Tananaev Institute of Chemistry and Technology of Rare Elements and Mineral Raw Materials, Kola Scientific Center
Autor responsável pela correspondência
Email: kreme_vg@chemy.kolasc.net.ru
Rússia, Apatity, Murmansk oblast, 184209
A. Nikolaev
Tananaev Institute of Chemistry and Technology of Rare Elements and Mineral Raw Materials, Kola Scientific Center
Email: kreme_vg@chemy.kolasc.net.ru
Rússia, Apatity, Murmansk oblast, 184209
S. Kuznetsov
Tananaev Institute of Chemistry and Technology of Rare Elements and Mineral Raw Materials, Kola Scientific Center
Email: kreme_vg@chemy.kolasc.net.ru
Rússia, Apatity, Murmansk oblast, 184209
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