Effects of translational and rotational degrees of freedom on the properties of model water

Effects of translational and rotational degrees of freedom on the properties of model water

Molecular dynamics simulations with separate thermostats for rotational and translational motions were used to study the effects of these degrees of freedom on the structure of water at a fixed density. To describe water molecules, we used the SPC/E model. The results indicate that an increase of th...

Full description

Bibliographic Details
Main Authors: T. Mohorič, B. Hribar-Lee, V. Vlachy
Format: Article
Language:English
Published: Institute for Condensed Matter Physics 2015-03-01
Series:Condensed Matter Physics
Subjects:
water structure
degrees of freedom
molecular dynamics
Online Access:http://dx.doi.org/10.5488/CMP.18.13004

Similar Items

Similar Items