volume 60, issue 4, P1545-1557 1974
DOI: 10.1063/1.1681229
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Abstract: Molecular dynamics calculations on a classical model for liquid water have been carried out at mass density I glcm 3 and at four temperatures. The effective pair potential employed is based on a four-charge model for each molecule and represents a modification of the prior "BNS" interaction. Results for molecular structure and thermodynamic properties indicate that the modification improves the fidelity of the molecular dynamics simulation. In particular, the present version leads to a density maximum near 27 …

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