Enviar artigo por via de e-mail Quantum-Chemical Analysis of the Electron Transfer Mechanism in Model System MgNbF7 + 12MgCl2 by the Method of Frontier Molecular Orbitals
- Autores: Kremenetsky V.G.1, Kuznetsov S.A.1
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Afiliações:
- Tananaev Institute of Chemistry and Technology of Rare Elements and Mineral Raw Materials, Cola Science Center
- Edição: Volume 54, Nº 9 (2018)
- Páginas: 676-682
- Seção: Article
- URL: https://journals.rcsi.science/1023-1935/article/view/189466
- DOI: https://doi.org/10.1134/S1023193518090069
- ID: 189466
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Resumo
By the example of quantum-chemical analysis of the model system MgNbF7 + 12MgCl2, the possibilities of the method of frontier molecular orbitals in studying the mechanism of electron transfer in molten salts are demonstrated. The rich information provided by this method allows recommending it as a tool for testing the hypotheses on 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, Cola Science Center
Email: kuznet@chemy.kolasc.net.ru
Rússia, Apatity, 184209
S. Kuznetsov
Tananaev Institute of Chemistry and Technology of Rare Elements and Mineral Raw Materials, Cola Science Center
Autor responsável pela correspondência
Email: kuznet@chemy.kolasc.net.ru
Rússia, Apatity, 184209
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