Molecular modeling in synthesis: from statistical methods to quantum chemistry and practical applications Review
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Russian Chemical Bulletin
ISSN: 1573-9171 , E-ISSN: 1066-5285 |
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| Output data | Year: 2024, Volume: 73, Number: 5, Pages: 1093-1108 Pages count : 16 DOI: 10.1007/s11172-024-4226-6 | ||
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Abstract:
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.
Cite:
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
Identifiers:
| Web of science: | WOS:001252371600009 |
| Scopus: | 2-s2.0-85196369811 |
| OpenAlex: | W4399897769 |