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Molecular dynamics simulation of liquid mixtures of acetonitrile and chloroform

✍ Scribed by Kovacs, H.; Kowalewski, J.; Laaksonen, A.


Book ID
125503610
Publisher
American Chemical Society
Year
1990
Tongue
English
Weight
929 KB
Volume
94
Category
Article
ISSN
0022-3654

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Molecular dynamics simulation of liquid
✍ Myron W. Evans πŸ“‚ Article πŸ“… 1982 πŸ› Elsevier Science βš– 532 KB

A molecular dynamlcs simulation of CHCI 3 is reported using a 5 x 5 Lennard-Jones atom-atom potential with partial charges at each atomic site. Thermodynamic and spectral properties have been computed for direct comparison with a range of experimental measurements. In general the agreement is good,