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Structure and dynamics of carbon dioxide clusters: A molecular dynamics study

✍ Scribed by Cardini, Gianni; Schettino, Vincenzo; Klein, Michael L.


Book ID
118256737
Publisher
American Institute of Physics
Year
1989
Tongue
English
Weight
849 KB
Volume
90
Category
Article
ISSN
0021-9606

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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