Etienne Derat
Etienne Derat
Sorbonne Université
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Complexes of borane and N-heterocyclic carbenes: a new class of radical hydrogen atom donor
SH Ueng, M Makhlouf Brahmi, E Derat, L Fensterbank, E Lacote, ...
Journal of the American Chemical Society 130 (31), 10082-10083, 2008
1902008
Silicates as Latent Alkyl Radical Precursors: Visible‐Light Photocatalytic Oxidation of Hypervalent Bis‐Catecholato Silicon Compounds
V Corcé, LM Chamoreau, E Derat, JP Goddard, C Ollivier, L Fensterbank
Angewandte Chemie International Edition 54 (39), 11414-11418, 2015
1572015
Molecular cobalt complexes with pendant amines for selective electrocatalytic reduction of carbon dioxide to formic acid
S Roy, B Sharma, J Pécaut, P Simon, M Fontecave, PD Tran, E Derat, ...
Journal of the American Chemical Society 139 (10), 3685-3696, 2017
1342017
Generation and Reactions of an Unsubstituted N‐Heterocyclic Carbene Boryl Anion
J Monot, A Solovyev, H Bonin‐Dubarle, É Derat, DP Curran, M Robert, ...
Angewandte Chemie 122 (48), 9352-9355, 2010
1342010
The effect of a water molecule on the mechanism of formation of compound 0 in horseradish peroxidase
E Derat, S Shaik, C Rovira, P Vidossich, M Alfonso-Prieto
Journal of the American Chemical Society 129 (20), 6346-6347, 2007
992007
Iron-containing enzymes: Versatile catalysts of hydroxylation reactions in nature
S Shaik, AW Munro, S Sen, C Mowat, W Nam, E Derat, T Bugg, ...
Royal Society of Chemistry, 2011
912011
The High-Valent Iron− Oxo Species of Polyoxometalate, if It Can Be Made, Will Be a Highly Potent Catalyst for C− H Hydroxylation and Double-Bond Epoxidation
D Kumar, E Derat, AM Khenkin, R Neumann, S Shaik
Journal of the American Chemical Society 127 (50), 17712-17718, 2005
912005
Non‐innocent ligands: new opportunities in iron catalysis
S Blanchard, E Derat, M Desage‐El Murr, L Fensterbank, M Malacria, ...
European Journal of Inorganic Chemistry 2012 (3), 376-389, 2012
902012
Expeditious synthesis of phenanthridines from benzylamines via dual palladium catalysis
G Maestri, MH Larraufie, E Derat, C Ollivier, L Fensterbank, E Lacote, ...
Organic letters 12 (24), 5692-5695, 2010
902010
Structure and quantum chemical characterization of chloroperoxidase compound 0, a common reaction intermediate of diverse heme enzymes
K Kühnel, E Derat, J Terner, S Shaik, I Schlichting
Proceedings of the National Academy of Sciences 104 (1), 99-104, 2007
892007
C–H activation/functionalization catalyzed by simple, well-defined low-valent cobalt complexes
BJ Fallon, E Derat, M Amatore, C Aubert, F Chemla, F Ferreira, ...
Journal of the American Chemical Society 137 (7), 2448-2451, 2015
862015
Regioselective activation of oxo ligands in functionalized Dawson polyoxotungstates
C Boglio, K Micoine, É Derat, R Thouvenot, B Hasenknopf, S Thorimbert, ...
Journal of the American Chemical Society 130 (13), 4553-4561, 2008
852008
The Poulos− Kraut mechanism of compound i formation in horseradish peroxidase: A QM/MM Study
E Derat, S Shaik
The Journal of Physical Chemistry B 110 (21), 10526-10533, 2006
832006
On the role of water in peroxidase catalysis: a theoretical investigation of HRP compound I formation
P Vidossich, G Fiorin, M Alfonso-Prieto, E Derat, S Shaik, C Rovira
The Journal of Physical Chemistry B 114 (15), 5161-5169, 2010
822010
Principal active species of horseradish peroxidase, compound I: a hybrid quantum mechanical/molecular mechanical study
E Derat, S Cohen, S Shaik, A Altun, W Thiel
Journal of the American Chemical Society 127 (39), 13611-13621, 2005
802005
Exception to the ortho Effect in Palladium/Norbornene Catalysis
MH Larraufie, G Maestri, A Beaume, É Derat, C Ollivier, L Fensterbank, ...
Angewandte Chemie International Edition 50 (51), 12253-12256, 2011
732011
Redox-ligand sustains controlled generation of CF 3 radicals by well-defined copper complex
J Jacquet, S Blanchard, E Derat, M Desage-El Murr, L Fensterbank
Chemical science 7 (3), 2030-2036, 2016
682016
Gauging the Relative Oxidative Powers of Compound I, Ferric-Hydroperoxide, and the Ferric-Hydrogen Peroxide Species of Cytochrome P450 Toward C− H Hydroxylation of a Radical …
E Derat, D Kumar, H Hirao, S Shaik
Journal of the American Chemical Society 128 (2), 473-484, 2006
672006
Quantum mechanical/molecular mechanical study of mechanisms of heme degradation by the enzyme heme oxygenase: The strategic function of the water cluster
H Chen, Y Moreau, E Derat, S Shaik
Journal of the American Chemical Society 130 (6), 1953-1965, 2008
642008
Unprecedented Aromatic Homolytic Substitutions and Cyclization of Amide Iminyl Radicals: Experimental and Theoretical Study
A Beaume, C Courillon, E Derat, M Malacria
Chemistry–A European Journal 14 (4), 1238-1252, 2008
632008
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