Квантово-хімічне моделювання кластерної структури у рідкому N-гептанолі
Different molecular aggregations formed in liquid heptanol due to the hydrogen bonding are investigated. Using the methods of quantum-chemical simulation, the preference of the aggregations involving more than 5 molecules isshown. The correctness of the conclusions is established by the comparison o...
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| Дата: | 2012 |
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| Автори: | , , |
| Формат: | Стаття |
| Мова: | English |
| Опубліковано: |
Publishing house "Academperiodika"
2012
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| Теми: | |
| Онлайн доступ: | https://ujp.bitp.kiev.ua/index.php/ujp/article/view/2021328 |
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| Назва журналу: | Ukrainian Journal of Physics |
Репозитарії
Ukrainian Journal of Physics| Резюме: | Different molecular aggregations formed in liquid heptanol due to the hydrogen bonding are investigated. Using the methods of quantum-chemical simulation, the preference of the aggregations involving more than 5 molecules isshown. The correctness of the conclusions is established by the comparison of the obtained results with experimental data. |
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