Gilles Tiraboschi

According to our database, Gilles Tiraboschi authored at least 3 papers between 1999 and 2001.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2001

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

2000

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

1999

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