A molecular dynamics study of the structure of water around the ions Li+, Na+, K+, Ca++, Ni++ and Cl

This paper reports a molecular dynamics study of the structure of water around Li + , Na + , K + , Ca ++ , Ni ++ and Cl - ions. Jorgensen's TIP4P potential is used for the water-water interaction, and new ab initio SCF potentials have been obtained for Ca ++ /H 2 O and Ni ++ /H 2 O using the re...

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Veröffentlicht in:	Molecular physics 1985-04, Vol.54 (6), p.1335-1355
1. Verfasser:	Bounds, D.G.
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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