The optimal geometric parameters and potential energies of the gauche- and trans-conformers of the ethanol molecule have been calculated by quantum chemical modeling method. Using the optimal structures of conformers, all possible configurations of dimers have been constructed, their geometric parameters, dissociation energies, and dipole moments have been found. The most probable dimer configuration has been determined. The ratio of the number of different configurations of dimer at a temperature of 20 K has been found. The frequencies of the IR absorption bands for the corresponding structures have been calculated.
| Mualliflar | Дорошенко, И.Ю., Пармонов, Ж.Р., Куйлиев, Б.Т., Рахмонова, M.А., Некбоев, А.А. |
|---|---|
| Jurnal | O‘zbekiston fizika jurnali |
| Nashriyot | Ўзбекистон Республикаси Фанлар академияси |
| ISSN | 1025-8817, 2181-077X |
| Nashr sanasi | 2022-05-23 |
| Jild | 24 |
| Son | 2 |
| Betlar | 106-109 |
| Til | Ingliz |
| Ilmiy soha | Fizika-matematika |
| DOI | 10.52304/.v24i2.328 |
| Indeksga qo‘shilgan | 2026-08-26 |
DOI: 10.52304/.v24i2.328 · Maqolaning asl sahifasi
акцептор, донор, кластер, конформеры, конфигурация, квантово-химическое моделирование, димер, мономер, ИК поглощение, acceptor, donor, cluster, conformation, configuration, quantum-chemical modelling, dimer, monomer, IR absorption
| APA | Дорошенко, И.Ю., Пармонов, Ж.Р., Куйлиев, Б.Т., Рахмонова, M.А., & Некбоев, А.А. (2022). Conformational Analysis of Ethanol Dimers by Quantum Chemical Modeling. O‘zbekiston fizika jurnali, 24(2), 106-109. https://doi.org/10.52304/.v24i2.328 |
|---|---|
| GOST (OAK) | Дорошенко, И.Ю. va b. Conformational Analysis of Ethanol Dimers by Quantum Chemical Modeling // O‘zbekiston fizika jurnali. – 2022. – T. 24, № 2. – P. 106-109. – DOI: 10.52304/.v24i2.328. |
| MLA | Дорошенко, И.Ю., Пармонов, Ж.Р., Куйлиев, Б.Т., Рахмонова, M.А., and Некбоев, А.А. “Conformational Analysis of Ethanol Dimers by Quantum Chemical Modeling.” O‘zbekiston fizika jurnali, 24(2), 106-109, 2022. https://doi.org/10.52304/.v24i2.328 |
| Chicago | Дорошенко, И.Ю., Пармонов, Ж.Р., Куйлиев, Б.Т., Рахмонова, M.А., and Некбоев, А.А. “Conformational Analysis of Ethanol Dimers by Quantum Chemical Modeling.” O‘zbekiston fizika jurnali, 24(2), 106-109 (2022). https://doi.org/10.52304/.v24i2.328 |
| Harvard | Дорошенко, И.Ю., Пармонов, Ж.Р., Куйлиев, Б.Т., Рахмонова, M.А., and Некбоев, А.А (2022) ‘Conformational Analysis of Ethanol Dimers by Quantum Chemical Modeling’, O‘zbekiston fizika jurnali, 24(2), 106-109. https://doi.org/10.52304/.v24i2.328 |
| BibTeX | @article{article2022,
title = {Conformational Analysis of Ethanol Dimers by Quantum Chemical Modeling},
author = {Дорошенко, И.Ю. and Пармонов, Ж.Р. and Куйлиев, Б.Т. and Рахмонова, M.А. and Некбоев, А.А.},
journal = {O‘zbekiston fizika jurnali},
year = {2022},
volume = {24},
number = {2},
pages = {106-109},
doi = {10.52304/.v24i2.328},
url = {https://doi.org/10.52304/.v24i2.328}
} |
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