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Extraction of site-site bridge functions and effective pair potentials from simulations of polar molecular liquids.
Gennady N. Chuev
Ivan Vyalov
Nikolaj Georgi
Published in:
J. Comput. Chem. (2014)
Keyphrases
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pairwise
automatic extraction
information systems
three dimensional
genetic algorithm
multiresolution
higher order
frequency domain
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molecular dynamics
reliability assessment