Molecular dynamics simulation of liquid
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Myron W. Evans
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Article
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1982
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Elsevier Science
โ 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,