Structure and dynamics of waterβmolecula
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M. SokΓ³Ε; A. Dawid; Z. Dendzik; Z. Gburski
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Article
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2004
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Elsevier Science
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English
β 248 KB
We carried out NPT ensemble classical molecular dynamics simulation of water in solid, liquid and gaseous state. The simulations were performed for two density cases-normal (r ΒΌ 1 g/cm 3 ) and lowered density (r ΒΌ 0:25 g/cm 3 ), for several values of temperature. The calculated structural and dynami