New six-site acetonitrile model for simulations of liquid acetonitrile and its aqueous mixtures.

Alexei M. Nikitin Alexander Lyubartsev

Published in: J. Comput. Chem. (2007)

Keyphrases

computational model
experimental data
statistical model
mathematical model
neural network
information retrieval
high level
management system
formal model
prediction model
objective function
probabilistic model
theoretical framework
simulation study
simulation model