Toward a Separate Reproduction of the Contributions to the Hartree−Fock and DFT Intermolecular Interaction Energies by Polarizable Molecular Mechanics with the SIBFA Potential

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https://hal.archives-ouvertes.fr/hal-02126810
Contributor : Jean-Philip Piquemal <>
Submitted on : Sunday, May 12, 2019 - 10:36:25 PM
Last modification on : Wednesday, May 15, 2019 - 11:12:09 AM

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Jean-Philip Piquemal, Hilaire Chevreau, Nohad Gresh. Toward a Separate Reproduction of the Contributions to the Hartree−Fock and DFT Intermolecular Interaction Energies by Polarizable Molecular Mechanics with the SIBFA Potential. Journal of Chemical Theory and Computation, American Chemical Society, 2007, 3 (3), pp.824-837. ⟨10.1021/ct7000182⟩. ⟨hal-02126810⟩

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