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Computer simulation of dichloromethane. II. Molecular dynamics

✍ Scribed by Mauro Ferrario; Myron W. Evans


Book ID
107941873
Publisher
Elsevier Science
Year
1982
Tongue
English
Weight
615 KB
Volume
72
Category
Article
ISSN
0301-0104

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Computer simulation of the molecular dyn
✍ M.W. Evans; M. Ferrario πŸ“‚ Article πŸ“… 1982 πŸ› Elsevier Science βš– 871 KB

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