Topological Atom-Atom Partitioning of Molecular Exchange Energy and its Multipolar Convergence

Michel Rafat, Paul L A Popelier

    Research output: Chapter in Book/Conference proceedingChapter

    Original languageEnglish
    Title of host publicationThe Quantum Theory of Atoms in Molecules: From Solid State to DNA and Drug Design|The Quantum Theory of Atoms in Molecules: From Solid State to DNA and Drug Des.
    Place of PublicationWeinheim, Germany
    PublisherJohn Wiley & Sons Ltd
    Pages121-140
    Number of pages19
    DOIs
    Publication statusPublished - 12 Apr 2007

    Keywords

    • Advances in theory
    • Atoms in molecules
    • Convergence of exchange energy
    • Convergence of exchange force
    • Details of calculations
    • Diagonalization
    • Matrix of exchange moments
    • Molecular exchange energy
    • Multipolar convergence
    • Quantum Theorie
    • Theoretical background
    • Topological atom-atom partitioning

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