A CSOV study of the difference between HF and DFT intermolecular interaction energy values: The importance of the charge transfer contribution von Piquemal, Jean‐Philip, Marquez, Antonio, Parisel, Olivier, Giessner–Prettre, Claude

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Improved Formulas for the Calculation of the Electrostatic Contribution to the Intermolecular Interaction Energy from Multipolar Expansion of the Electronic Distribution von Piquemal, Jean-Philip, Gresh, Nohad, Giessner-Prettre, Claude

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Inclusion of the ligand field contribution in a polarizable molecular mechanics: SIBFA‐LF von Piquemal, Jean‐Philip, Williams‐Hubbard, Ben, Fey, Natalie, Deeth, Robert J., Gresh, Nohad, Giessner‐Prettre, Claude

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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 wi... von Tiraboschi, Gilles, Gresh, Nohad, Giessner-Prettre, Claude, Pedersen, Lee G., Deerfield, David W.

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A NMR and Theoretical Study of the Aggregates between Alkyllithium and Chiral Lithium Amides:  Control of the Topology through a Single Asymmetric Center von Corruble, Aline, Davoust, Daniel, Desjardins, Stéphanie, Fressigné, Catherine, Giessner-Prettre, Claude, Harrison-Marchand, Anne, Houte, Henri, Lasne, Marie-Claire, Maddaluno, Jacques, Oulyadi, Hassan, Valnot, Jean-Yves

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Modeling Copper(I) Complexes:  SIBFA Molecular Mechanics versus ab Initio Energetics and Geometrical Arrangements von Gresh, N, Policar, C, Giessner-Prettre, C

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A DFT Theoretical Analysis of Aldehyde Condensation Pathways onto Methyllithium, Lithium Dimethylamide, and Their Aggregates von Fressigné, Catherine, Maddaluno, Jacques, Marquez, Antonio, Giessner-Prettre, Claude

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Solvent effects on the mixed aggregates of chiral 3-aminopyrrolidine lithium amides and alkyllithiums von Yuan, Yi, Desjardins, Stéphanie, Harrison-Marchand, Anne, Oulyadi, Hassan, Fressigné, Catherine, Giessner-Prettre, Claude, Maddaluno, Jacques

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Influence of the Correlation, Aggregation, and Solvation on ab initio Computed Li−C, Li−N, and Li−Li NMR Coupling Constants von Parisel, Olivier, Fressigné, Catherine, Maddaluno, Jacques, Giessner-Prettre, Claude

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Modeling of Copper(II) Complexes with the SIBFA Polarizable Molecular Mechanics Procedure. Application to a New Class of HIV-1 Protease Inhibitors von Ledecq, Marie, Lebon, Florence, Durant, François, Giessner-Prettre, Claude, Marquez, Antonio, Gresh, Nohad

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Multinuclear NMR Study of the Aggregates between Methyllithium and Lithium Bromide in Toluene von Desjardins, Stéphanie, Flinois, Karine, Oulyadi, Hassan, Davoust, Daniel, Giessner-Prettre, Claude, Parisel, Olivier, Maddaluno, Jacques

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Why Are Monomeric Lithium Amides Planar? von Fressigné, Catherine, Maddaluno, Jacques, Giessner-Prettre, Claude, Silvi, Bernard

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Inclusion of the ligand field contribution in a polarizable molecular mechanics: SIBFA-LF von Piquemal, Jean-Philip, Williams-Hubbard, Ben, Fey, Natalie, Deeth, Robert J., Gresh, Nohad, Giessner-Prettre, Claude

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Theoretical study of phenol and 2-aminophenol docking at a model of the tyrosinase active site von Piquemal, Jean-Philip, Maddaluno, Jacques, Silvi, Bernard, Giessner-Prettre, Claude

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A molecular mechanics/continuum reaction field investigation of the interactions between polar amino acid side chains in water and organic solvents von Langlet, J, Gresh, N, Giessner-Prettre, C

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Does the Mode of Dioxygen Binding to Dinuclear Copper Complexes Depend on the Spectator Nitrogen-Containing Ligands? An ab Initio Theoretical Study von Eisenstein, O, Getlicherman, H, Giessner-Prettre, C, Maddaluno, J

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Modeling of the adsorption on Cr2O3 clusters of small molecules and ions present in seawater. A preliminary non-empirical study von Compere, C., Costa, D., Jolly, L.-H., Mauger, E., Giessner–Prettre, C.

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Fate of CH2CHE (E = H, OMe) in the Presence of Unsaturated Ru(X)(H)L2q+ (X = Cl, q = 0; X = CO, q = 1):  Highly Sensitive to X and E von GéRARD, Hélène, CLOT, Eric, GIESSNER-PRETTRE, Claude, CAULTON, Kenneth G., DAVIDSON, Ernest R., EISENSTEIN, Odile

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Intramolecular .pi.-Stacking and Asymmetric Induction: A Semiempirical Theoretical Study von Maddaluno, Jacques F, Gresh, Nohad, Giessner-Prettre, Claude

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Theoretical Investigations of the Influence of Pressure on the Selectivity of the Michael Addition of Diphenylmethaneamine to Stereogenic Crotonates von Dumas, F, Fressigné, C, Langlet, J, Giessner-Prettre, C

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