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Journal Articles Journal of Computational Chemistry Year : 2014

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

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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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