Inclusion of the ligand field contribution in a polarizable molecular mechanics: SIBFA-LF - Archive ouverte HAL Access content directly
Journal Articles Journal of Computational Chemistry Year : 2003

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hal-02127138 , version 1 (13-05-2019)

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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, 2003, 24 (16), pp.1963-1970. ⟨10.1002/jcc.10354⟩. ⟨hal-02127138⟩
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