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
✦ LIBER ✦
Density and energy distribution in water and organic solvents: A molecular dynamics study
✍ Scribed by Larisa Zoranić; Franjo Sokolić; Aurélien Perera
- Publisher
- Elsevier Science
- Year
- 2007
- Tongue
- English
- Weight
- 876 KB
- Volume
- 136
- Category
- Article
- ISSN
- 0167-7322
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