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Scrutinizing ion-pi and ion-sigma interactions using the noncovalent index and energy decomposition analysis

Mercedes Alonso, Balazs Pinter, Tatiana Woller, Paul Geerlings, Frank De Proft

Research output: Contribution to journalArticlepeer-review

8 Citations (Scopus)
Original languageEnglish
Pages (from-to)150-164
JournalComputational and Theoretical Chemistry
Volume1053
DOIs
Publication statusPublished - 1 Feb 2015

Keywords

  • Noncovalent interactions
  • Ion-pi
  • Ion-sigma
  • Density functional theory
  • Aromaticity
  • NCI method

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