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Ethylene glycol revisited: Molecular dynamics simulations and visualization of the liquid and its hydrogen-bond network()
Molecular dynamics simulations of liquid ethylene glycol described by the OPLS-AA force field were performed to gain insight into its hydrogen-bond structure. We use the population correlation function as a statistical measure for the hydrogen-bond lifetime. In an attempt to understand the complicat...
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| Main Authors: | , , , , , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Elsevier
2014
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3990454/ https://ncbi.nlm.nih.gov/pubmed/24748697 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.molliq.2013.05.033 |
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