The DFT study of hydrogen bonding and thermodynamic parameters of (CH3OH)n(H2O)m (n, m = 1–8) clusters at different temperatures
For the first time, the interaction of one molecule of water with up to 8 molecules of methanol, and one molecule of methanol with up to 8 molecules of water in different temperatures (273.15–403.15 K) is investigated. The intermolecular hydrogen bonding and ΔG and ΔH of formation of (CH3OH)nH2O (n ...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2016-09-01
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| Series: | Arabian Journal of Chemistry |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S187853521100044X |