Bernard-Pierre Roques (Selection)

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4 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. Journal of Computational Chemistry 22(10): 1038-1047 (2001)

3 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. Journal of Computational Chemistry 20(13): 1379-1390 (1999)

Selection of 2 from 4 records - Bernard-Pierre Roques has 10 coauthors

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4		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. Journal of Computational Chemistry 22(10): 1038-1047 (2001)
3		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. Journal of Computational Chemistry 20(13): 1379-1390 (1999)