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Natural bond critical point analysis: Quantitative relationships between natural bond orbital-based and QTAIM-based topological descriptors of chemical bonding.

Frank Weinhold
Published in: J. Comput. Chem. (2012)
Keyphrases
  • critical points
  • real world
  • statistical analysis
  • data sets
  • man made
  • neural network
  • computer vision
  • image processing
  • video sequences
  • pattern recognition
  • object recognition
  • drug discovery