The molecular dynamics of CH2CI 2 in the liquid state have been simulated with two model representations of the intermolecular potential. These consist of a 3 x 3 and 5 x 5 atom-atom simulation with or without fractional charges at the atomic sites. A variety of thermodynamical and spectroscopic r
Entropy of association of methane in water: a new molecular dynamics computer simulation
β Scribed by Smith, David E.; Zhang, Ling; Haymet, A. D. J.
- Book ID
- 120429369
- Publisher
- American Chemical Society
- Year
- 1992
- Tongue
- English
- Weight
- 283 KB
- Volume
- 114
- Category
- Article
- ISSN
- 0002-7863
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