Etienne Derat
Etienne Derat
Sorbonne Université
Adresse e-mail validée de upmc.fr - Page d'accueil
TitreCitée parAnnée
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
1812008
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
1352015
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 International Edition 49 (48), 9166-9169, 2010
1292010
Molecular cobalt complexes with pendant amines for selective electrocatalytic reduction of carbon dioxide to formic acid
S Roy, B Sharma, J Pecaut, P Simon, M Fontecave, PD Tran, E Derat, ...
Journal of the American Chemical Society 139 (10), 3685-3696, 2017
1022017
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
932007
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
872005
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
862007
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
852011
Expeditious synthesis of phenanthridines from benzylamines via dual palladium catalysis
G Maestri, MH Larraufie, E Derat, C Ollivier, L Fensterbank, E Lacôte, ...
Organic letters 12 (24), 5692-5695, 2010
852010
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
832012
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
832008
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
812006
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
782015
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
782005
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
732010
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
712011
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
642006
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
612008
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
612008
An efficient proton-coupled electron-transfer process during oxidation of ferulic acid by horseradish peroxidase: coming full cycle
E Derat, S Shaik
Journal of the American Chemical Society 128 (42), 13940-13949, 2006
612006
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