Electrostatic Forces: Formulas for the First Derivatives of a Polarizable, Anisotropic Electrostatic Potential Energy Function Based on Machine Learning

Matthew J L Mills, Paul L A Popelier

    Research output: Contribution to journalArticlepeer-review

    Original languageEnglish
    Pages (from-to)3840-3856
    Number of pages17
    JournalJournal of Chemical Theory and Computation
    Issue number9
    Publication statusPublished - 2014

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