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

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

Jean-Philip Piquemal ¹ Hilaire Chevreau ² Nohad Gresh ³

1 LCT - Laboratoire de chimie théorique

2 LCT - Laboratoire de chimie théorique

3 PMC - UMR_S 648 - Pharmacochimie Moléculaire et Cellulaire

Document type :

Journal articles

Domain :

Chemical Sciences

Chemical Sciences / Theoretical and/or physical chemistry

Complete list of metadatas

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

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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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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