Toward a Separate Reproduction of the Contributions to the Hartree-Fock and DFT Intermolecular Interaction Energies

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Jean-Philip Piquemal1, Hilaire Chevreau1, Nohad Gresh1

  • 1Laboratoire de Chimie Théorique, UMR 7616, Université P. & M. Curie, Case courrier 137, 4, place Jussieu, F. 75252 Paris, Cedex 05, France, and Laboratoire de Pharmacochimie Moléculaire et Structurale, U648 INSERM, IFR Biomédicale, 45, Rue des Saints-Pères, 75006, Paris, France.

Journal of Chemical Theory and Computation
|December 3, 2015
PubMed

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