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A supervised fitting approach to force field parametrization with application to the SIBFA polarizable force field

Mike Devereux 1 Nohad Gresh 2 Jean-Philip Piquemal 3 Markus Meuwly 1
1 Department of Chemistry [Basel]
2 PMC - UMR_S 648 - Pharmacochimie Moléculaire et Cellulaire
3 LCT - Laboratoire de chimie théorique
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Journal articles
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https://hal.archives-ouvertes.fr/hal-02126862
Contributor : Jean-Philip Piquemal Connect in order to contact the contributor
Submitted on : Monday, May 13, 2019 - 6:58:19 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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Mike Devereux, Nohad Gresh, Jean-Philip Piquemal, Markus Meuwly. A supervised fitting approach to force field parametrization with application to the SIBFA polarizable force field. Journal of Computational Chemistry, Wiley, 2014, 35 (21), pp.1577-1591. ⟨10.1002/jcc.23661⟩. ⟨hal-02126862⟩

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