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A computationally inexpensive modification of the point dipole electrostatic polarization model for molecular simulations.
George A. Kaminski
Richard A. Friesner
Ruhong Zhou
Published in:
J. Comput. Chem. (2003)
Keyphrases
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computationally inexpensive
mathematical model
high level
similarity measure
probability distribution
computational model
process model
experimental data
management system
theoretical analysis
neural network
information retrieval
genetic algorithm
decision trees
probabilistic model
simulation model