Gilles Tiraboschi

Publication Activity (10 Years)

Years Active: 1999-2001
Publications (10 Years): 0

Publications

Gilles Tiraboschi, Marie-Claude Fournié-Zaluski, Bernard-Pierre Roques, Nohad Gresh
Intramolecular chelation of Zn2+ by - and -mercaptocarboxamides. A parallel ab initio and polarizable molecular mechanics investigation. Assessment of the role of multipole transferability. J. Comput. Chem. 22 (10) (2001)
Gilles Tiraboschi, Nohad Gresh, Claude Giessner-Prettre, Lee G. Pedersen, David W. Deerfield
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. J. Comput. Chem. 21 (12) (2000)
Gilles Tiraboschi, Bernard-Pierre Roques, Nohad Gresh
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. J. Comput. Chem. 20 (13) (1999)