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

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. 1113-1130 2005 26 Journal of Computational Chemistry 11 http://dx.doi.org/10.1002/jcc.20244 db/journals/jcc/jcc26.html#GreshPK05