Cumulative Coordinates for Approximations of High-Order Atomic Multipole Moments in Aluminosilicate and Aluminophosphate Sieves

Alexandre Larin, Daniel Vercauteren

    Research output: Contribution to journalArticlepeer-review

    Original languageEnglish
    Pages (from-to)70-85
    Number of pages16
    JournalInt. J. Quantum Chem.
    Volume83
    Publication statusPublished - 2001

    Keywords

    • Periodic Hartree-Fock
    • electrostatic field
    • distributed multipole analysis (DMA)
    • ALPO sieves
    • zeolites

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