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Improved Formulas for the Calculation of the Electrostatic Contribution to the Intermolecular Interaction Energy from Multipolar Expansion of the Electronic Distribution

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https://hal.archives-ouvertes.fr/hal-02126882
Contributor : Jean-Philip Piquemal <>
Submitted on : Monday, May 13, 2019 - 7:34:44 AM
Last modification on : Friday, May 7, 2021 - 7:44:04 PM

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Jean-Philip Piquemal, Nohad Gresh, Claude Giessner-Prettre. Improved Formulas for the Calculation of the Electrostatic Contribution to the Intermolecular Interaction Energy from Multipolar Expansion of the Electronic Distribution. Journal of Physical Chemistry A, American Chemical Society, 2003, 107 (48), pp.10353-10359. ⟨10.1021/jp035748t⟩. ⟨hal-02126882⟩

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