Ab initio Calculation of Potential Energy Surface and Geometric Structure of the LiBH4 Non-Rigid Complex Molecule Научная публикация
Журнал |
Chemical Physics Letters
ISSN: 0009-2614 , E-ISSN: 1873-4448 |
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Вых. Данные | Год: 1976, Том: 44, Номер: 1, Страницы: 20-24 Страниц : 5 DOI: 10.1016/0009-2614(76)80400-9 | ||||||
Авторы |
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Организации |
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Реферат:
Ab initio calculations are made for the important areas of the potential energy surface of the LiBH4 complex molecule. It is shown that the barriers on the pathway of Li+ migration relative to the BH−4 are relatively small. A non-rigid nature of the structure of this molecule is discussed together with the polarization of the electron density and geometric structure of a BH−4 anion in the course of Li+ movement.
Библиографическая ссылка:
Boldyrev A.I.
, Charkin O.P.
, Rambidi N.G.
, Avdeev V.I.
Ab initio Calculation of Potential Energy Surface and Geometric Structure of the LiBH4 Non-Rigid Complex Molecule
Chemical Physics Letters. 1976. V.44. N1. P.20-24. DOI: 10.1016/0009-2614(76)80400-9 WOS Scopus РИНЦ
Ab initio Calculation of Potential Energy Surface and Geometric Structure of the LiBH4 Non-Rigid Complex Molecule
Chemical Physics Letters. 1976. V.44. N1. P.20-24. DOI: 10.1016/0009-2614(76)80400-9 WOS Scopus РИНЦ
Даты:
Поступила в редакцию: | 13 мая 1976 г. |
Опубликована в печати: | 15 нояб. 1976 г. |
Опубликована online: | 20 нояб. 2001 г. |
Идентификаторы БД:
Web of science | WOS:A1976CM61200006 |
Scopus | 2-s2.0-24444437071 |
РИНЦ | 31145543 |
Chemical Abstracts | 1977:79057 |
Chemical Abstracts (print) | 86:79057 |
OpenAlex | W1966013345 |