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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 |