电邮这篇文章 Analysis of electrochemical electron transfer mechanisms in molten salts by the frontier orbital method
- 作者: Kremenetsky V.G.1, Nikolaev A.I.1, Kuznetsov S.A.1
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隶属关系:
- Tananaev Institute of Chemistry and Technology of Rare Elements and Mineral Raw Materials, Kola Scientific Center
- 期: 卷 475, 编号 1 (2017)
- 页面: 122-125
- 栏目: 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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详细
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.
作者简介
V. Kremenetsky
Tananaev Institute of Chemistry and Technology of Rare Elements and Mineral Raw Materials, Kola Scientific Center
编辑信件的主要联系方式.
Email: kreme_vg@chemy.kolasc.net.ru
俄罗斯联邦, 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
俄罗斯联邦, 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
俄罗斯联邦, Apatity, Murmansk oblast, 184209
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