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Insightful correlations between quantum theory of atoms in molecules parameters and the relative strength of noncovalent interactions

Research output: Chapter in Book/Report/Conference proceedingChapter

Original languageEnglish
Title of host publicationTheoretical and Computational Chemistry
PublisherElsevier B.V.
Pages63-103
Number of pages41
DOIs
StatePublished - Jan 2025

Publication series

NameTheoretical and Computational Chemistry
Volume24
ISSN (Print)1380-7323
ISSN (Electronic)2212-1617

ASJC Scopus Subject Areas

  • Physical and Theoretical Chemistry

Keywords

  • cooperativity
  • DFT
  • noncovalent interactions
  • QTAIM

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