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Energies, structures, and electronic properties of molecules in solution with the C-PCM solvation model.

Maurizio CossiNadia RegaGiovanni ScalmaniVincenzo Barone
Published in: J. Comput. Chem. (2003)
Keyphrases
  • mathematical model
  • closed form
  • objective function
  • probabilistic model
  • probability distribution
  • information retrieval
  • social networks
  • energy function
  • theoretical framework
  • network structure
  • temporal properties