Cargando…

Characterization of the Local Structure in Liquid Water by Various Order Parameters

[Image: see text] A wide range of geometric order parameters have been suggested to characterize the local structure of liquid water and its tetrahedral arrangement, but their respective merits have remained elusive. Here, we consider a series of popular order parameters and analyze molecular dynami...

Descripción completa

Detalles Bibliográficos
Autores principales: Duboué-Dijon, Elise, Laage, Damien
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2015
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4516314/
https://www.ncbi.nlm.nih.gov/pubmed/26054933
http://dx.doi.org/10.1021/acs.jpcb.5b02936