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Toward deformation densities for intramolecular interactions without radical reference states using the fragment, atom, localized, delocalized, and interatomic (FALDI) charge density decomposition scheme.

Jurgens Hendrik de LangeIgnacy Cukrowski
Published in: J. Comput. Chem. (2017)
Keyphrases
  • van der waals
  • detection scheme
  • recognition scheme
  • data mining
  • image segmentation
  • classification scheme
  • representation scheme
  • decomposition method
  • decomposition algorithm