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Accurate First Principles Model Potentials for Intermolecular Interactions

TitleAccurate First Principles Model Potentials for Intermolecular Interactions
Publication TypeBook Chapter
Year of Publication2013
AuthorsGordon, MS, Smith, QA, Xu, P, Slipchenko, LV
EditorJohnson, MA, Martinez, TJ
Book TitleAnnual Review of Physical Chemistry, Vol 64
Series TitleAnnual Review of Physical Chemistry
PublisherAnnual Reviews
CityPalo Alto
ISBN Number978-0-8243-1064-6
Accession NumberWOS:000321771600025
Keywordsab-initio, adapted, aqueous-solution, calculations, charge transfer, charge-transfer, closed-shell molecules, dispersion, effective fragment method, effective fragment potential, EFP, energy decomposition analysis, exchange, molecular-orbital methods, perturbation-theory, QM/EFP, quantum-mechanical, repulsion, water clusters

computer programs, these most recent new developments are discussed.

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AbbreviationAnnu. Rev. Phys. Chem.