Quantum Mechanics/Molecular Mechanics Modeling of Enzymatic Processes: Caveats and Breakthroughs von Quesne, Matthew G., Borowski, Tomasz, de Visser, Sam P.

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Origin of the Regioselective Fatty-Acid Hydroxylation versus Decarboxylation by a Cytochrome P450 Peroxygenase: What Drives the Reaction to Biofuel Production? von Faponle, Abayomi S., Quesne, Matthew G., de Visser, Sam P.

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Singlet versus Triplet Reactivity in an Mn(V)–Oxo Species: Testing Theoretical Predictions Against Experimental Evidence von Yang, Tzuhsiung, Quesne, Matthew G, Neu, Heather M, Cantú Reinhard, Fabián G, Goldberg, David P, de Visser, Sam P

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Hydrogen-Bonding Interactions Trigger a Spin-Flip in Iron(III) Porphyrin Complexes von Sahoo, Dipankar, Quesne, Matthew G., de Visser, Sam P., Rath, Sankar Prasad

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Quantum Mechanics/Molecular Mechanics Study on the Oxygen Binding and Substrate Hydroxylation Step in AlkB Repair Enzymes von Quesne, Matthew G., Latifi, Reza, Gonzalez-Ovalle, Luis E., Kumar, Devesh, de Visser, Sam P.

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Secondary Coordination Sphere Influence on the Reactivity of Nonheme Iron(II) Complexes: An Experimental and DFT Approach von Sahu, Sumit, Widger, Leland R, Quesne, Matthew G, de Visser, Sam P, Matsumura, Hirotoshi, Moënne-Loccoz, Pierre, Siegler, Maxime A, Goldberg, David P

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Oxygen-Atom Transfer Reactivity of Axially Ligated Mn(V)–Oxo Complexes: Evidence for Enhanced Electrophilic and Nucleophilic Pathways von Neu, Heather M, Yang, Tzuhsiung, Baglia, Regina A, Yosca, Timothy H, Green, Michael T, Quesne, Matthew G, de Visser, Sam P, Goldberg, David P

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Advances in Sustainable Catalysis: A Computational Perspective von Quesne, Matthew G, Silveri, Fabrizio, de Leeuw, Nora H, Catlow, C Richard A

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Prospective survey of acute osteoarticular infections in a French paediatric orthopedic surgery unit von Ferroni, A., Al Khoury, H., Dana, C., Quesne, G., Berche, P., Glorion, C., Péjin, Z.

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Matrix‐assisted laser desorption ionization time‐of‐flight mass spectrometry for fast and accurate identification of clinically relevant Aspergillus species von Alanio, A., Beretti, J.‐L., Dauphin, B., Mellado, E., Quesne, G., Lacroix, C., Amara, A., Berche, P., Nassif, X., Bougnoux, M.‐E.

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Mechanism of CO conversion to methanol over Cu(110) and Cu(100) surfaces von Higham, Michael D, Quesne, Matthew G, Catlow, C. Richard A

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Experimental and Computational Evidence for the Mechanism of Intradiol Catechol Dioxygenation by Non-Heme Iron(III) Complexes von Jastrzebski, Robin, Quesne, Matthew G., Weckhuysen, Bert M., de Visser, Sam P., Bruijnincx, Pieter C. A.

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Microbiological Diagnosis of Empyema in Children: Comparative Evaluations by Culture, Polymerase Chain Reaction, and Pneumococcal Antigen Detection in Pleural Fluids von Le Monnier, Alban, Carbonnelle, Etienne, Zahar, Jean-Ralph, Le Bourgeois, Muriel, Abachin, Eric, Quesne, Gilles, Varon, Emmanuelle, Descamps, Philippe, De Blic, Jacques, Scheinmann, Pierre, Berche, Patrick, Ferroni, Agnès

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Rapid and Accurate Species-Level Identification of Coagulase-Negative Staphylococci by Using the sodA Gene as a Target von Poyart, C, Quesne, G, Boumaila, C, Trieu-Cuot, P

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Bulk and surface properties of metal carbides: implications for catalysis von Quesne, Matthew G, Roldan, Alberto, de Leeuw, Nora H, Catlow, C Richard A

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Computational modelling of oxygenation processes in enzymes and biomimetic model complexes von de Visser, Sam P, Quesne, Matthew G, Martin, Bodo, Comba, Peter, Ryde, Ulf

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Computational modelling in catalytic science von Catlow, C. Richard A, Chutia, Arunabhiram, Quesne, Matthew G

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Modelling the bulk properties of ambient pressure polymorphs of zirconia von Delarmelina, Maicon, Quesne, Matthew G, Catlow, C. Richard A

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Matrix-assisted laser desorption ionization-time of flight mass spectrometry for fast and accurate identification of Pseudallescheria/ Scedosporium species von Sitterlé, E., Giraud, S., Leto, J., Bouchara, J.P., Rougeron, A., Morio, F., Dauphin, B., Angebault, C., Quesne, G., Beretti, J.L., Hassouni, N., Nassif, X., Bougnoux, M.E.

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Hydrogen adsorption on transition metal carbides: a DFT study von Silveri, Fabrizio, Quesne, Matthew G, Roldan, Alberto, de Leeuw, Nora H, Catlow, C Richard A

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