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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...
| Autores principales: | , , , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Elsevier
2014
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3990454/ https://www.ncbi.nlm.nih.gov/pubmed/24748697 http://dx.doi.org/10.1016/j.molliq.2013.05.033 |