Decreasing temperature enhances the formation of sixfold hydrogen bonded rings in water-rich water-methanol mixtures
Abstract The evolution of the structure of liquid water-methanol mixtures as a function of temperature has been studied by molecular dynamics simulations, with a focus on hydrogen bonding. The combination of the OPLS-AA (all atom) potential model of methanol and the widely used SPC/E water model has...
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| Main Authors: | , , |
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| Format: | article |
| Language: | EN |
| Published: |
Nature Portfolio
2017
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| Subjects: | |
| Online Access: | https://doaj.org/article/2cee2ba753fc4284b16595dfb9dc7907 |
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