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Monte Carlo simulations of liquid tetrahydrofuran including pseudorotationa)

✍ Scribed by Chandrasekhar, Jayaraman


Book ID
121846556
Publisher
American Institute of Physics
Year
1982
Tongue
English
Weight
652 KB
Volume
77
Category
Article
ISSN
0021-9606

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Monte Carlo liquid water simulation with
✍ J. Detrich; G. Corongiu; E. Clementi πŸ“‚ Article πŸ“… 1984 πŸ› Elsevier Science 🌐 English βš– 388 KB

for water molecules is derived. The new terms are combined with previously dcvclopcd two-and three-body POtCntht tcrrnsond upplied in n hlctropolis-Monte Carlo simulation at 298 K for nn (N, I',?") ensemble with 513 water molecules. Improvements, relative to the results using only two-body, or two-a