Joint quantum chemical and polarizable molecular mechanics investigation of formate complexes with penta- and hexahydrated Zn2+: Comparison between energetics of model bidentate, monodentate, and through-water Zn2+ binding modes and evaluation of nonadditivity effects. - Gilles Tiraboschi; Bernard-Pierre Roques; Nohad Gresh (J. Comput. Chem., 1999)

Parallel ab initio and molecular mechanics investigation of polycoordinated Zn(II) complexes with model hard and soft ligands: Variations of binding energy and of its components with number and charges of ligands. - Gilles Tiraboschi; Nohad Gresh; Claude Giessner-Prettre; Lee G. Pedersen; David W. Deerfield (J. Comput. Chem., 2000)

Intramolecular chelation of Zn2+ by - and -mercaptocarboxamides. A parallel ab initio and polarizable molecular mechanics investigation. Assessment of the role of multipole transferability. - Gilles Tiraboschi; Marie-Claude Fournié-Zaluski; Bernard-Pierre Roques; Nohad Gresh (J. Comput. Chem., 2001)