Claude Giessner-Prettre, Ph.D.

Chemistry Université Pierre et Marie Curie/CNRS 
Physics,Theoretical Chemistry
"Claude Giessner-Prettre"

Claude Giessner-Prettre was a physicist and research director in theoretical chemistry at CNRS (France). After several years of work at the Institut de Biologie Physico-chimique (IBPC) with Bernard Pullman, she headed the "biogroup" at Laboratoire de Chimie Théorique (Université Pierre et Marie Curie, Paris 6). She retired in 2003. Her research interests included the modeling of bioinorganic systems using quantum chemistry and molecular mechanics (including polarizable force fields); and the prediction of NMR spectra.

Mean distance: 10.5
Cross-listing: Chemistry Tree


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René Freymann grad student 1964 Universite de Paris -Sorbonne
 ( Etude par résonance magnétique nucléaire de composés azotés: effets intramoléculaires et intermoléculaires)


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Nohad Gresh collaborator (Chemistry Tree)
Jacques Maddaluno collaborator (Chemistry Tree)
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Piquemal JP, Marquez A, Parisel O, et al. (2005) A CSOV study of the difference between HF and DFT intermolecular interaction energy values: the importance of the charge transfer contribution. Journal of Computational Chemistry. 26: 1052-62
Yuan Y, Desjardins S, Harrison-Marchand A, et al. (2005) Solvent effects on the mixed aggregates of chiral 3-aminopyrrolidine lithium amides and alkyllithiums Tetrahedron. 61: 3325-3334
Piquemal JP, Williams-Hubbard B, Fey N, et al. (2004) Inclusion of the ligand field contribution in a polarizable molecular mechanics: SIBFA-LF (vol 24, pg 1963, 2003) Journal of Computational Chemistry. 25: 308-308
Piquemal JP, Gresh N, Giessner-Prettre C. (2003) Improved Formulas for the Calculation of the Electrostatic Contribution to the Intermolecular Interaction Energy from Multipolar Expansion of the Electronic Distribution. The Journal of Physical Chemistry. A. 107: 10353-9
Piquemal JP, Williams-Hubbard B, Fey N, et al. (2003) Inclusion of the ligand field contribution in a polarizable molecular mechanics: SIBFA-LF. Journal of Computational Chemistry. 24: 1963-70
Parisel O, Fressigné C, Maddaluno J, et al. (2003) Influence of the correlation, aggregation, and solvation on ab initio computed Li-C, Li-N, and Li-Li NMR coupling constants. The Journal of Organic Chemistry. 68: 1290-4
Piquemal JP, Maddaluno J, Silvi B, et al. (2003) Theoretical study of phenol and 2-aminophenol docking at a model of the tyrosinase active site New Journal of Chemistry. 27: 909-913
Desjardins S, Flinois K, Oulyadi H, et al. (2003) Multinuclear NMR study of the aggregates between methyllithium and lithium bromide in toluene Organometallics. 22: 4090-4097
Piquemal JP, Gresh N, Giessner-Prettre C. (2003) Improved formulas for the calculation of the electrostatic contribution to the intermolecular interaction energy from multipolar expansion of the electronic distribution Journal of Physical Chemistry A. 107: 10353-10359
Ledecq M, Lebon F, Durant F, et al. (2003) Modeling of Copper(II) Complexes with the SIBFA Polarizable Molecular Mechanics Procedure. Application to a New Class of HIV-1 Protease Inhibitors Journal of Physical Chemistry B. 107: 10640-10652
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