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Investigation of structure and stability of small clusters: Molecular dynamics studies of water pentamers

✍ Scribed by Moore Plummer, P. L.; Chen, T. S.

Book ID
120974754
Publisher
American Institute of Physics
Year
1987
Tongue
English
Weight
750 KB
Volume
86
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