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Decreasing temperature enhances the formation of sixfold hydrogen bonded rings in water-rich water-methanol mixtures

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 provided...

Deskribapen osoa

Gorde:
Xehetasun bibliografikoak
Argitaratua izan da:Sci Rep
Egile Nagusiak: Bakó, Imre, Pusztai, László, Temleitner, László
Formatua: Artigo
Hizkuntza:Inglês
Argitaratua: Nature Publishing Group UK 2017
Gaiak:
Sarrera elektronikoa:https://ncbi.nlm.nih.gov/pmc/articles/PMC5430766/
https://ncbi.nlm.nih.gov/pubmed/28432304
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-017-01095-7
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