Journal Articles Journal of Computational Chemistry Year : 2014

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

Mike Devereux
  • Function : Author
Department of Chemistry [Basel]
Nohad Gresh
  • Function : Author
  • PersonId : 842212
Pharmacochimie Moléculaire et Cellulaire
Jean-Philip Piquemal
Laboratoire de chimie théorique
CV
Markus Meuwly
  • Function : Author
Department of Chemistry [Basel]

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Theoretical and/or physical chemistry

Jean-Philip Piquemal  : Connect in order to contact the contributor

https://hal.science/hal-02126862

Submitted on : Monday, May 13, 2019-6:58:19 AM

Last modification on : Thursday, April 11, 2024-1:08:12 PM

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hal-02126862 , version 1 (13-05-2019)

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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, 2014, 35 (21), pp.1577-1591. ⟨10.1002/jcc.23661⟩. ⟨hal-02126862⟩

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