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Hexahalogenated and their mixed benzene derivatives as prototypes for the understanding of halogen···halogen intramolecular interactions: New insights from combined DFT, QTAIM-, and RDG-based NCI analyses.

Pradeep R. VaradwajArpita VaradwajBih-Yaw Jin
Published in: J. Comput. Chem. (2015)
Keyphrases
  • higher order
  • frequency domain
  • combining multiple
  • databases
  • data mining
  • information retrieval
  • clustering algorithm
  • case study
  • multiresolution
  • discrete fourier transform