Molecular modeling in synthesis: from statistical methods to quantum chemistry and practical applications Обзор
| Журнал |
Russian Chemical Bulletin
ISSN: 1573-9171 , E-ISSN: 1066-5285 |
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| Вых. Данные | Год: 2024, Том: 73, Номер: 5, Страницы: 1093-1108 Страниц : 16 DOI: 10.1007/s11172-024-4226-6 | ||
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| Организации |
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Реферат:
The review gives a retrospective of methods for molecular modeling of the structures, mechanisms of chemical reactions, and properties of organic compounds. The development and advancement of the ideology of preliminary modeling of the structures and formation mechanisms of reaction products in the planning of any synthesis is a relevant task in this field of science. Some results of the practical application of this paradigm are considered.
Библиографическая ссылка:
Svitanko I.V.
, Pivina T.S.
Molecular modeling in synthesis: from statistical methods to quantum chemistry and practical applications
Russian Chemical Bulletin. 2024. V.73. N5. P.1093-1108. DOI: 10.1007/s11172-024-4226-6 WOS Scopus OpenAlex
Molecular modeling in synthesis: from statistical methods to quantum chemistry and practical applications
Russian Chemical Bulletin. 2024. V.73. N5. P.1093-1108. DOI: 10.1007/s11172-024-4226-6 WOS Scopus OpenAlex
Идентификаторы БД:
| Web of science: | WOS:001252371600009 |
| Scopus: | 2-s2.0-85196369811 |
| OpenAlex: | W4399897769 |