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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Detalles Bibliográficos
Autores principales: Kaiser, Alexander, Ismailova, Oksana, Koskela, Antti, Huber, Stefan E., Ritter, Marcel, Cosenza, Biagio, Benger, Werner, Nazmutdinov, Renat, Probst, Michael
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2014
Materias:
Article
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

Internet

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

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