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Dispersion and repulsion contributions to the solvation free energy: Comparison of quantum mechanical and classical approaches in the polarizable continuum model.

Carles CurutchetModesto OrozcoF. Javier LuqueBenedetta MennucciJacopo Tomasi
Published in: J. Comput. Chem. (2006)
Keyphrases
  • probabilistic model
  • computer vision
  • image processing
  • sufficient conditions
  • parameter estimation
  • prior information
  • free energy