MNDO calculations of systems with hydrogen bonds S-H |
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| Authors: | Alexander A. Voityuk Audrey A. Bliznyuk |
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| Affiliation: | (1) Sibirian Branch of the USSR Academy of Sciences, Institute of Bioorganic Chemistry, Lavrentyev Prospect 8, 630090 Novosibirsk, USSR |
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| Abstract: | ![]()
The MNDO method has been modified for the calculation of the properties of complexes with hydrogen bonds S-H-X, X = N, O, F, S. The results obtained are in good agreement with the experimental data. |
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| Keywords: | MNDO Hydrogen bonds |
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