Načítá se...

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...

Celý popis

Uloženo v:
Podrobná bibliografie
Hlavní autoři: Kaiser, Alexander, Ismailova, Oksana, Koskela, Antti, Huber, Stefan E., Ritter, Marcel, Cosenza, Biagio, Benger, Werner, Nazmutdinov, Renat, Probst, Michael
Médium: Artigo
Jazyk:Inglês
Vydáno: Elsevier 2014
Témata:
On-line přístup: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
Tagy: Přidat tag
Žádné tagy, Buďte první, kdo otaguje tento záznam!