Отправить статью по E-mail Analysis of electrochemical electron transfer mechanisms in molten salts by the frontier orbital method
- Авторы: Kremenetsky V.G.1, Nikolaev A.I.1, Kuznetsov S.A.1
-
Учреждения:
- Tananaev Institute of Chemistry and Technology of Rare Elements and Mineral Raw Materials, Kola Scientific Center
- Выпуск: Том 475, № 1 (2017)
- Страницы: 122-125
- Раздел: Physical Chemistry
- URL: https://journals.rcsi.science/0012-5016/article/view/153685
- DOI: https://doi.org/10.1134/S001250161707003X
- ID: 153685
Цитировать
Открытый доступ
Доступ предоставлен
Только для подписчиков
Аннотация
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.
Об авторах
V. Kremenetsky
Tananaev Institute of Chemistry and Technology of Rare Elements and Mineral Raw Materials, Kola Scientific Center
Автор, ответственный за переписку.
Email: kreme_vg@chemy.kolasc.net.ru
Россия, 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
Россия, 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
Россия, Apatity, Murmansk oblast, 184209
Дополнительные файлы
