Title of article
Solvation effects in the CF1 central force model of water: Molecular dynamics simulations
Author/Authors
Arthur، نويسنده , , Jonathan W. and Haymet، نويسنده , , A.D.J.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 1998
Pages
6
From page
91
To page
96
Abstract
Molecular dynamics simulations are used to study the properties of water modelled by the CF1 potential. The shifted-force CF1 model of water is introduced and studied. By shifting the force and potential curves in such a way as to remove the long-range Coulomb tail, it is possible to form short-range potentials which capture a few features of the actual CF1 potentials.
Keywords
molecular simulation , water , Central force potentials , Model , Ewald sums
Journal title
Fluid Phase Equilibria
Serial Year
1998
Journal title
Fluid Phase Equilibria
Record number
1981576
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