In the paper, the results of quantum-chemical simulation of five possible conformers of a propanol molecule, as well as of their hydrogen-bonded dimers are presented. Optimal geometry and energy parameters of the structures obtained are calculated. The most stable conformations of the dimers are determined, for which the infrared absorption spectra are calculated.
| Mualliflar | Дорошенко, И., Васкивский, Е., Мейлиев, Л., Куйлиев, Б. |
|---|---|
| Jurnal | O‘zbekiston fizika jurnali |
| Nashr sanasi | 2019-12-17 |
| Jild | 22 |
| Son | 3 |
| Betlar | 182-187 |
| Til | Rus |
| DOI | 10.52304/.v22i3.157 |
DOI: 10.52304/.v22i3.157 · Maqolaning asl sahifasi
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