A molecular dynamics simulation of a water model with intramolecular degrees of freedom

Simulations of water models with and without intramolecular degrees of freedom have been performed within the classical approximation. Three H 2 O simulations with interaction parameters taken from a simple point charge model due to Berendsen et al. are reported: (i) with rigid water molecules, (ii)...

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Veröffentlicht in:	Molecular physics 1987-01, Vol.60 (1), p.193-203
Hauptverfasser:	Teleman, Olle, Jönsson, Bo, Engström, Sven
Format:	Artikel
Sprache:	eng
Schlagworte:	Condensed matter: structure, mechanical and thermal properties Exact sciences and technology Physics Structure of solids and liquids crystallography Studies of specific liquid structures
Online-Zugang:	Volltext
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