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Modeling Organochlorine Compounds and the σ-Hole Effect Using a Polarizable Multipole Force Field

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https://hal.archives-ouvertes.fr/hal-02126799
Contributor : Jean-Philip Piquemal <>
Submitted on : Sunday, May 12, 2019 - 10:13:46 PM
Last modification on : Tuesday, December 24, 2019 - 12:40:04 PM

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Xiaojiao Mu, Qiantao Wang, Lee-Ping Wang, Stephen Fried, Jean-Philip Piquemal, et al.. Modeling Organochlorine Compounds and the σ-Hole Effect Using a Polarizable Multipole Force Field. Journal of Physical Chemistry B, American Chemical Society, 2014, 118 (24), pp.6456-6465. ⟨10.1021/jp411671a⟩. ⟨hal-02126799⟩

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