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Electric field-derived point charges to mimic the electrostatics in molecular crystals.

Andrew E. WhittenJoshua J. McKinnonMark A. Spackman
Published in: J. Comput. Chem. (2006)
Keyphrases
  • electric field
  • decision making
  • space charge
  • artificial intelligence
  • three dimensional
  • social networks
  • sample points
  • external force