The molecular dynamics computer simulation technique is used to develop a rigid, four-site polarizable model for water. The suggested model reasonably describes the important properties of water clusters, the thermodynamic and structural properties of the liquid and the liquid/vapor interface of water.
Revised: January 14, 2020 |
Published: May 15, 1997
Citation
Dang L.X., and T. Chang. 1997.Molecular Dynamics Study of Water Clusters, Liquid and Liquid-Vapor Interface of Water with Many-body Potentials.Journal of Chemical Physics 106, no. 19:8149-8159.PNNL-SA-28142.doi:10.1063/1.473820