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Geometry optimization of molecular structures in solution by the polarizable continuum model.
Vincenzo Barone
Maurizio Cossi
Jacopo Tomasi
Published in:
J. Comput. Chem. (1998)
Keyphrases
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mathematical model
probabilistic model
optimization method
computational model
optimization procedure
prior knowledge
experimental data
sensitivity analysis
optimization model
three dimensional
probability distribution
parameter estimation
statistical model
closed form
network model
optimization strategy