Representation of Zn(II) complexes in polarizable molecular mechanics. Further refinements of the electrostatic and short-range contributions. Comparisons with parallel ab initio computations - Archive ouverte HAL Access content directly
Journal Articles Journal of Computational Chemistry Year : 2005

Representation of Zn(II) complexes in polarizable molecular mechanics. Further refinements of the electrostatic and short-range contributions. Comparisons with parallel ab initio computations

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hal-02127150 , version 1 (13-05-2019)

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Nohad Gresh, Jean-Philip Piquemal, Morris Krauss. Representation of Zn(II) complexes in polarizable molecular mechanics. Further refinements of the electrostatic and short-range contributions. Comparisons with parallel ab initio computations. Journal of Computational Chemistry, 2005, 26 (11), pp.1113-1130. ⟨10.1002/jcc.20244⟩. ⟨hal-02127150⟩

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