Chlorophyll and pheophytin protonated and deprotonated ions: Observation and theory von Diop, M., El-Hayek, M., Attard, J., Muhieddine, A., Veremeienko, V., Soorkia, S., Carbonnière, Ph, de la Lande, A., Soep, B., Shafizadeh, N.

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Electron transfer within a reaction path model calibrated by constrained DFT calculations: application to mixed-valence organic compounds von Mangaud, E, de la Lande, A, Meier, C, Desouter-Lecomte, M

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QM/MM study of l-lactate oxidation by flavocytochrome b2 von Gillet, N, Ruiz-Pernía, J J, de la Lande, A, Lévy, B, Lederer, F, Demachy, I, Moliner, V

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Study of the docking of competitive inhibitors at a model of tyrosinase active site: Insights from joint broken-symmetry/spin-flip DFT computations and ELF topological analysis von de la Lande, A., Maddaluno, J., Parisel, O., Darden, T. A., Piquemal, J. -P.

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Structure of cobalt protoporphyrin chloride and its dimer, observation and DFT modeling von de la Lande, Aurélien, Ha-Thi, Minh-Huong, Chen, Shufeng, Soep, Benoît, Shafizadeh, Niloufar

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QM/MM study of l -lactate oxidation by flavocytochrome b 2 von Gillet, N., Ruiz-Pernía, J. J., de la Lande, A., Lévy, B., Lederer, F., Demachy, I., Moliner, V.

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Electron transfer within a reaction path model calibrated by constrained DFT calculations: application to mixed-valence organic compoundsElectronic supplementary information (ESI)... von Mangaud, E, de la Lande, A, Meier, C, Desouter-Lecomte, M

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QM/MM study of l-lactate oxidation by flavocytochrome b2Electronic supplementary information (ESI) available. See DOI: 10.1039/c6cp00395h von Gillet, N, Ruiz-Pernía, J. J, de la Lande, A, Lévy, B, Lederer, F, Demachy, I, Moliner, V

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QM/MM study of l-lactate oxidation by flavocytochrome b sub(2) von Gillet, N, Ruiz-Pernia, J J, de la Lande, A, Levy, B, Lederer, F, Demachy, I, Moliner, V

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How to optimize a CH cleavage with a mononuclear copper-dioxygen adduct? von De La Lande, A., Gérard, H., Parisel, O.

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What can be learnt on biologically relevant systems from the topological analysis of the electron localization function? von Piquemal, J.-P., Pilmé, J., Parisel, O., Gérard, H., Fourré, I., Bergès, J., Gourlaouen, C., De La Lande, A., Van Severen, M.-C., Silvi, B.

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New insights into the mechanism of electron transfer within flavohemoglobins: tunnelling pathways, packing density, thermodynamic and kinetic analyses von EL HAMMI, Emna, HOUEE-LEVIN, Chantal, REZAC, Jan, LEVY, Bernard, DEMACHY, Isabelle, BACIOU, Laura, LA LANDE, Aurélien De

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COMPOSITION FOR 3D PRINTING von DE LA LANDE DE CALAN, Guillaume, BOUCHET-DOUMENQ, Guillaume

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COMPOSITION FOR 3D PRINTING von DE LA LANDE DE CALAN, Guillaume, BOUCHET-DOUMENQ, Guillaume

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A multi-GPU implementation of Real-Time Time-Dependent Auxiliary Density Functional Theory for the investigation of nanosystems irradiations von Ballantyne, John

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A multi-GPU implementation of Real-Time Time-Dependent Auxiliary Density Functional Theory for the investigation of nanosystems irradiations von Ballantyne, John

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COMPOSITION FOR 3D PRINTING von DE LA LANDE DE CALAN, Guillaume, BOUCHET-DOUMENQ, Guillaume

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COMPOSITION FOR 3D PRINTING von DE LA LANDE DE CALAN, Guillaume, BOUCHET-DOUMENQ, Guillaume

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COMPOSITION FOR 3D PRINTING von DE LA LANDE DE CALAN, Guillaume, BOUCHET-DOUMENQ, Guillaume

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Competitive ligand/chelate binding in [Cu(TMPA)]+ and [Cu(tren)]+ based complexes: The Synergistic Power of Theory and Experiment in the Field of Catalysis von BONNIARD, Lauréline, DE LA LANDE, Aurélien, ULMER, Simon, PIQUEMAL, Jean-Philip, PARISEL, Olivier, GERARD, Helene

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