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Effective generation of molecular cavities in polarizable continuum model by DefPol procedure.
Christian Silvio Pomelli
Jacopo Tomasi
Maurizio Cossi
Vincenzo Barone
Published in:
J. Comput. Chem. (1999)
Keyphrases
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mathematical model
cost function
three dimensional
prior knowledge
probabilistic model
theoretical analysis
parameter estimation
experimental data
generation process
real time
high level
edge detection
computational model
statistical model
hierarchical structure