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 ¼ 1 g/cm 3 ) and lowered density (r ¼ 0:25 g/cm 3 ), for several values of temperature. The calculated structural and dynami
Perspective on “Molecular dynamics study of liquid water”
✍ Scribed by Peter Kollman
- Publisher
- Springer
- Year
- 2000
- Tongue
- English
- Weight
- 51 KB
- Volume
- 103
- Category
- Article
- ISSN
- 1432-2234
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