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Key Role of the Polarization Anisotropy of Water in Modeling Classical Polarizable Force Fields

Jean-Philip Piquemal 1 Riccardo Chelli 2 Piero Procacci 2 Nohad Gresh 3
1 LCT - Laboratoire de chimie théorique
2 Université de Florence
3 PMC - UMR_S 648 - Pharmacochimie Moléculaire et Cellulaire
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https://hal.archives-ouvertes.fr/hal-02126880
Contributor : Jean-Philip Piquemal Connect in order to contact the contributor
Submitted on : Monday, May 13, 2019 - 7:29:58 AM
Last modification on : Thursday, March 31, 2022 - 8:20:03 AM

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CNRS | LCT | UPMC | UNIV-PARIS5 | SORBONNE-UNIVERSITE | SU-SCIENCES | UNIV-PARIS | INC-CNRS

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Jean-Philip Piquemal, Riccardo Chelli, Piero Procacci, Nohad Gresh. Key Role of the Polarization Anisotropy of Water in Modeling Classical Polarizable Force Fields. Journal of Physical Chemistry A, American Chemical Society, 2007, 111 (33), pp.8170-8176. ⟨10.1021/jp072687g⟩. ⟨hal-02126880⟩

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