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A molecular dynamics study of nitric oxide in water: Diffusion and structure

✍ Scribed by Zhou, Zhongwu; Todd, B. D.; Travis, Karl P.; Sadus, Richard J.


Book ID
120837470
Publisher
American Institute of Physics
Year
2005
Tongue
English
Weight
395 KB
Volume
123
Category
Article
ISSN
0021-9606

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Structure and dynamics of waterβ€”molecula
✍ M. SokΓ³Ε‚; A. Dawid; Z. Dendzik; Z. Gburski πŸ“‚ Article πŸ“… 2004 πŸ› Elsevier Science 🌐 English βš– 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