Inclusion of the ligand field contribution in a polarizable molecular mechanics: SIBFA-LF

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https://hal.archives-ouvertes.fr/hal-02127138
Contributor : Jean-Philip Piquemal <>
Submitted on : Monday, May 13, 2019 - 11:29:15 AM
Last modification on : Wednesday, May 15, 2019 - 11:12:09 AM

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Jean-Philip Piquemal, Ben Williams-Hubbard, Natalie Fey, Robert Deeth, Nohad Gresh, et al.. Inclusion of the ligand field contribution in a polarizable molecular mechanics: SIBFA-LF. Journal of Computational Chemistry, Wiley, 2003, 24 (16), pp.1963-1970. ⟨10.1002/jcc.10354⟩. ⟨hal-02127138⟩

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