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Monte Carlo simulations of pure liquid substituted benzenes with OPLS potential functions.
William L. Jorgensen
Ellen R. Laird
Toan B. Nguyen
Julian Tirado-Rives
Published in:
J. Comput. Chem. (1993)
Keyphrases
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potential functions
monte carlo simulation
monte carlo
markov random field
maximum entropy
markov chain
pairwise
random fields
boundary conditions
weighted sums
machine learning
search algorithm
boundary element method