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A QTAIM-based energy partitioning for understanding the physical origin of conformational preferences: Application to the Z effect in O=C-X-R and related units.

David Ferro-CostasNicolás OteroAna M. GrañaRicardo A. Mosquera
Published in: J. Comput. Chem. (2012)
Keyphrases
  • user preferences
  • low energy
  • database
  • information retrieval
  • decision making
  • learning algorithm
  • decision support
  • graph partitioning
  • energy saving