Modeling Copper(I) Complexes:  SIBFA Molecular Mechanics versus ab Initio Energetics and Geometrical Arrangements by 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 by Fressigné, Catherine, Maddaluno, Jacques, Marquez, Antonio, 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 by Piquemal, Jean-Philip, Gresh, Nohad, Giessner-Prettre, Claude

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

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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 by 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 by Compere, C., Costa, D., Jolly, L.-H., Mauger, E., Giessner–Prettre, C.

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

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

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Inclusion of the ligand field contribution in a polarizable molecular mechanics: SIBFA‐LF by 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... by 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 by 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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Quantum mechanical calculations of NMR chemical shifts in nucleic acids by Giessner-Prettre, C., Pullman, B.

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

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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 by 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 by Desjardins, Stéphanie, Flinois, Karine, Oulyadi, Hassan, Davoust, Daniel, Giessner-Prettre, Claude, Parisel, Olivier, Maddaluno, Jacques

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Nonempirical calculations on (Cu+)2-O2 : a possible model for oxyhemocyanin and oxytyrosinase active sites by MADDALUNO, J, GIESSNER-PRETTRE, C

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The nuclear magnetic shielding constants of formamide: the contribution of the non-tightly bound water molecules of the “first hydration shell” by Giessner-Prettre, C., Pullman, A.

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Theory assisted interpretation of copper phthalocyanine core levels XPS spectra by Carniato, S., Dufour, G., Rochet, F., Roulet, H., Chaquin, P., Giessner-Prettre, C.

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Nonempirical calculations on dicopper(1+)-dioxygen: a possible model for oxyhemocyanin and oxytyrosinase active sites by Maddaluno, J, Giessner-Prettre, C

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

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