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A new extension of the polarizable continuum model: Toward a quantum chemical description of chemical reactions at extreme high pressure.

Roberto Cammi
Published in: J. Comput. Chem. (2015)
Keyphrases
  • high level
  • computational model
  • mathematical model
  • probability distribution
  • neural network model
  • chemical reaction
  • chemical reactions
  • objective function
  • probabilistic model
  • genetic programming
  • high pressure