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On the direct calculation of the free energy of quantization for molecular systems in the condensed phase.
Daan P. Geerke
Sandra Luber
Koni H. Marti
Wilfred F. van Gunsteren
Published in:
J. Comput. Chem. (2009)
Keyphrases
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free energy
three dimensional
graphical models
distributed systems
post processing
semi supervised
fixed point