Derat, Etienne: search on Z-Library

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1

Synthesis of Stable Pentacoordinate Silicon(IV)–NHC Adducts: An Entry to Anionic N-Heterocyclic Carbene Ligands

Medici, Fabrizio, Gontard, Geoffrey, Derat, Etienne, Lemière, Gilles, Fensterbank, Louis

Journal:

Organometallics

Year:

2018

Language:

english

File:

PDF, 1.37 MB

english, 2018

2

Frontispiece: Silicates as Latent Alkyl Radical Precursors: Visible-Light Photocatalytic Oxidation of Hypervalent Bis-Catecholato Silicon Compounds

Corcé, Vincent, Chamoreau, Lise-Marie, Derat, Etienne, Goddard, Jean-Philippe, Ollivier, Cyril, Fensterbank, Louis

Journal:

Angewandte Chemie International Edition

Year:

2015

File:

PDF, 2.46 MB

2015

3

HELIXOL-derived Bisphosphinite Ligand: Synthesis and Application in Gold-catalyzed Enynes Cycloisomerization

Medena, Caleb, Calogero, Francesco, Lemoine, Quentin, Aubert, Corinne, Derat, Etienne, Fensterbank, Louis, Gontard, Geoffrey, Khaled, Omar, Vanthuyne, Nicolas, Moussa, Jamal, Ollivier, Cyril, Petit, M

Journal:

European Journal of Organic Chemistry

Year:

2019

Language:

english

File:

PDF, 2.32 MB

english, 2019

4

On the Influence of the Protonation States of Active Site Residues on AChE Reactivation: A QM/MM Approach

Driant, Thomas, Nachon, Florian, Ollivier, Cyril, Renard, Pierre-Yves, Derat, Etienne

Journal:

Year:

2017

Language:

english

File:

PDF, 3.40 MB

english, 2017

5

Massively parallel implementation of Steered Molecular Dynamics in Tinker-HP: comparisons of polarizable and non-polarizable simulations of realistic systems

Célerse, Frederic, Lagardère, Louis, Derat, Etienne, Piquemal, Jean-Philip

Journal:

Journal of Chemical Theory and Computation

Year:

2019

File:

PDF, 9.61 MB

2019

6

The Valence Bond Workshop in Paris: The Phoenix Rises from the Ashes or, Has a Love Story with MO-Based Theories Begun?

Braïda, Benoît, Derat, Etienne, Humbel, Stéphane, Hiberty, Philippe C., Shaik, Sason

Journal:

Year:

2012

Language:

english

File:

PDF, 123 KB

english, 2012

7

Compound I of Nitric Oxide Synthase: The Active Site Protonation State

Cho, Kyung-Bin, Derat, Etienne, Shaik, Sason

Journal:

Journal of the American Chemical Society

Year:

2007

Language:

english

File:

PDF, 366 KB

english, 2007

8

Reconciling NMR Structures of the HIV-1 Nucleocapsid Protein (NCp7) using Extensive Polarizable Force Field Free-Energy Simulations

El Khoury, LÃ©a, CÃ©lerse, FrÃ©deric, LagardÃ¨re, Louis, Jolly, Luc-Henri, Derat, Etienne, Hobaika, Zeina, Maroun, Richard G., Ren, Pengyu, Bouaziz, Serge, Gresh, Nohad, Piquemal, Jean-Philip

Journal:

Journal of Chemical Theory and Computation

Year:

2020

Language:

english

File:

PDF, 4.10 MB

english, 2020

9

Inside Cover: Generation and Reactions of an Unsubstituted N-Heterocyclic Carbene Boryl Anion (Angew. Chem. Int. Ed. 48/2010)

Dr. Julien Monot, Andrey Solovyev, Dr. Hélène Bonin-Dubarle, Dr. Étienne Derat, Prof. Dennis P. Curran, Prof. Marc Robert, Prof. Louis Fensterbank, Prof. Max Malacria, Dr. Emmanuel Lacôte

Journal:

Angewandte Chemie International Edition

Year:

2010

Language:

english

File:

PDF, 480 KB

english, 2010

10

Conjugate Additions to Alkylidene Bis(Sulfoxides)

Dr. Franck Brebion, Dr. Guillaume Vincent, Dr. Saloua Chelli, Dr. Ophélie Kwasnieski, Dr. Francisco Najera, Dr. Bénédicte Delouvrié, Prof. Ilan Marek, Dr. Etienne Derat, Dr. Jean-Philippe Goddard, Pro

Journal:

Chemistry – An Asian Journal

Year:

2011

Language:

english

File:

PDF, 392 KB

english, 2011

11

From molecular copper complexes to composite electrocatalytic materials for selective reduction of CO 2 to formic acid

Huan, Tran Ngoc, Andreiadis, Eugen. S., Heidkamp, Jonathan, Simon, Philippe, Derat, Etienne, Cobo, Saioa, Royal, Guy, Bergmann, Arno, Strasser, Peter, Dau, Holger, Artero, Vincent, Fontecave, Marc

Journal:

Journal of Materials Chemistry A

Year:

2015

Language:

english

File:

PDF, 2.21 MB

english, 2015

12

Redox-ligand sustains controlled generation of CF 3 radicals by well-defined copper complex

Desage El Murr, Marine, Jacquet, Jeremy, Blanchard, Sebastien, Derat, Etienne, Fensterbank, Louis

Journal:

Chemical Science

Year:

2015

Language:

english

File:

PDF, 1.22 MB

english, 2015

13

Silicates as Latent Alkyl Radical Precursors: Visible-Light Photocatalytic Oxidation of Hypervalent Bis-Catecholato Silicon Compounds

Corcé, Vincent, Chamoreau, Lise-Marie, Derat, Etienne, Goddard, Jean-Philippe, Ollivier, Cyril, Fensterbank, Louis

Journal:

Angewandte Chemie International Edition

Year:

2015

Language:

english

File:

PDF, 2.94 MB

english, 2015

14

Energy level alignment of a hole-transport organic layer and ITO: Towards applications for organic electronic devices

Arnoux, Quentin, Boucly, Anthony, Barth, Vincent, Benbalagh, Rabah, Cossaro, Albano, Floreano, Luca, Silly, Mathieu G., Sirotti, Fausto, Derat, Etienne, Carniato, Stephane, Bournel, Fabrice, Gallet, J

Journal:

ACS Applied Materials & Interfaces

Year:

2017

Language:

english

File:

PDF, 1.50 MB

english, 2017

15

Generation and Reactions of an Unsubstituted N-Heterocyclic Carbene Boryl Anion

Dr. Julien Monot, Andrey Solovyev, Dr. Hélène Bonin-Dubarle, Dr. Étienne Derat, Prof. Dennis P. Curran, Prof. Marc Robert, Prof. Louis Fensterbank, Prof. Max Malacria, Dr. Emmanuel Lacôte

Journal:

Angewandte Chemie International Edition

Year:

2010

Language:

english

File:

PDF, 408 KB

english, 2010

16

Photochromism and Dual-Color Fluorescence in a Polyoxometalate-Benzospiropyran Molecular Switch

Parrot, Arnaud, Bernard, Aurélie, Jacquart, Aurélie, Serapian, Stefano Artin, Bo, Carles, Derat, Etienne, Oms, Olivier, Dolbecq, Anne, Proust, Anna, Métivier, Rémi, Mialane, Pierre, Izzet, Guillaume

Journal:

Angewandte Chemie

Year:

2017

Language:

english

File:

PDF, 866 KB

english, 2017

17

Correction to “Molecular Cobalt Complexes with Pendant Amines for Selective Electrocatalytic Reduction of Carbon Dioxide to Formic Acid”

Roy, Souvik, Sharma, Bhaskar, Pécaut, Jacques, Simon, Philippe, Fontecave, Marc, Tran, Phong D., Derat, Etienne, Artero, Vincent

Journal:

Journal of the American Chemical Society

Year:

2017

File:

PDF, 301 KB

2017

18

Orthogonal Syntheses of 3.2.0 Bicycles from Enallenes Promoted by Visible Light

Serafino, Andrea, Balestri, Davide, MarchiÃ², Luciano, Malacria, Max, Derat, Etienne, Maestri, Giovanni

Journal:

Organic Letters

Year:

2020

File:

PDF, 965 KB

2020

19

ChemInform Abstract: Generation and Reactions of an Unsubstituted N-Heterocyclic Carbene Boryl Anion.

Julien Monot, Andrey Solovyev, Helene Bonin-Dubarle, Etienne Derat, Dennis P. Curran, Marc Robert, Louis Fensterbank, Max Malacria, Emmanuel Lacote

Journal:

Year:

2011

File:

PDF, 34 KB

2011

20

Hydrido-Cobalt Catalyst as a Selective Tool for the Dimerisation of Arylacetylenes: Scope and Theoretical Studies

Ventre, Sandrine, Derat, Etienne, Amatore, Muriel, Aubert, Corinne, Petit, Marc

Journal:

Advanced Synthesis & Catalysis

Year:

2013

Language:

english

File:

PDF, 562 KB

english, 2013

21

Synthesis of 1,2-Dihydropyridines Catalyzed by Well-Defined Low-Valent Cobalt Complexes: C–H Activation Made Simple

Fallon, Brendan J., Garsi, Jean-Baptiste, Derat, Etienne, Amatore, Muriel, Aubert, Corinne, Petit, Marc

Journal:

Year:

2015

Language:

english

File:

PDF, 939 KB

english, 2015

22

Exception to the ortho Effect in Palladium/Norbornene Catalysis

Marie-Hélène Larraufie, Dr. Giovanni Maestri, Aurore Beaume, Dr. Étienne Derat, Dr. Cyril Ollivier, Prof. Louis Fensterbank, Prof. Christine Courillon, Dr. Emmanuel Lacôte, Prof. Marta Catellani, Prof

Journal:

Angewandte Chemie

Year:

2011

Language:

english

File:

PDF, 490 KB

english, 2011

23

On the Role of Water in Peroxidase Catalysis: A Theoretical Investigation of HRP Compound I Formation

Vidossich, Pietro, Fiorin, Giacomo, Alfonso-Prieto, Mercedes, Derat, Etienne, Shaik, Sason, Rovira, Carme

Journal:

Journal of Physical Chemistry B

Year:

2010

Language:

english

File:

PDF, 3.35 MB

english, 2010

24

Solid-State Hierarchical Cyclodextrin-Based Supramolecular Polymer Constructed by Primary, Secondary, and Tertiary Azido Interactions

Ménand, Mickaël, Adam de Beaumais, Ségolène, Chamoreau, Lise-Marie, Derat, Etienne, Blanchard, Sébastien, Zhang, Yongmin, Bouteiller, Laurent, Sollogoub, Matthieu

Journal:

Angewandte Chemie

Year:

2014

Language:

english

File:

PDF, 1.41 MB

english, 2014

25

ChemInform Abstract: Hydrido-Cobalt Catalyst as a Selective Tool for the Dimerization of Arylacetylenes: Scope and Theoretical Studies.

Ventre, Sandrine, Derat, Etienne, Amatore, Muriel, Aubert, Corinne, Petit, Marc

Journal:

Year:

2014

File:

PDF, 27 KB

2014

26

Quantum Mechanical/Molecular Mechanical Study of Mechanisms of Heme Degradation by the Enzyme Heme Oxygenase: The Strategic Function of the Water Cluster

Chen, Hui, Moreau, Yohann, Derat, Etienne, Shaik, Sason

Journal:

Journal of the American Chemical Society

Year:

2008

Language:

english

File:

PDF, 615 KB

english, 2008

27

An Efficient Proton-Coupled Electron-Transfer Process during Oxidation of Ferulic Acid by Horseradish Peroxidase: Coming Full Cycle

Derat, Etienne, Shaik, Sason

Journal:

Journal of the American Chemical Society

Year:

2006

Language:

english

File:

PDF, 1.04 MB

english, 2006

28

ChemInform Abstract: C2-Alkylation and Alkenylation of Indoles Catalyzed by a Low-Valent Cobalt Complex in the Absence of Reductant.

Fallon, Brendan J., Derat, Etienne, Amatore, Muriel, Aubert, Corinne, Chemla, Fabrice, Ferreira, Franck, Perez-Luna, Alejandro, Petit, Marc

Journal:

Year:

2016

Language:

english

File:

PDF, 32 KB

english, 2016

29

Innentitelbild: Generation and Reactions of an Unsubstituted N-Heterocyclic Carbene Boryl Anion (Angew. Chem. 48/2010)

Dr. Julien Monot, Andrey Solovyev, Dr. Hélène Bonin-Dubarle, Dr. Étienne Derat, Prof. Dennis P. Curran, Prof. Marc Robert, Prof. Louis Fensterbank, Prof. Max Malacria, Dr. Emmanuel Lacôte

Journal:

Angewandte Chemie

Year:

2010

File:

PDF, 473 KB

2010

30

Specific solvent effect on R2ZrCl2 (R=butyl, ethyl) reactivity, a density functional study

Etienne Derat, James Bouquant, Philippe Bertus, Jan Szymoniak, Stéphane Humbel

Journal:

Journal of Organometallic Chemistry

Year:

2002

Language:

english

File:

PDF, 841 KB

english, 2002

31

Hybrid polyoxometalate palladacycles: DFT study and application to the Heck reaction

Riflade, Benoît, Oble, Julie, Chenneberg, Ludwig, Derat, Etienne, Hasenknopf, Bernold, Lacôte, Emmanuel, Thorimbert, Serge

Journal:

Year:

2013

Language:

english

File:

PDF, 1.40 MB

english, 2013

32

C2-Alkylation and Alkenylation of Indoles Catalyzed by a Low-Valent Cobalt Complex in the Absence of Reductant

Fallon, Brendan J., Derat, Etienne, Amatore, Muriel, Aubert, Corinne, Chemla, Fabrice, Ferreira, Franck, Perez-Luna, Alejandro, Petit, Marc

Journal:

Organic Letters

Year:

2016

Language:

english

File:

PDF, 946 KB

english, 2016

33

Exception to the ortho Effect in Palladium/Norbornene Catalysis

Marie-Hélène Larraufie, Dr. Giovanni Maestri, Aurore Beaume, Dr. Étienne Derat, Dr. Cyril Ollivier, Prof. Louis Fensterbank, Prof. Christine Courillon, Dr. Emmanuel Lacôte, Prof. Marta Catellani, Prof

Journal:

Angewandte Chemie International Edition

Year:

2011

Language:

english

File:

PDF, 472 KB

english, 2011

34

Radical Pd(iii)/Pd(i) reductive elimination in palladium sequences

Maestri, Giovanni, Malacria, Max, Derat, Etienne

Journal:

Chemical Communications

Year:

2013

Language:

english

File:

PDF, 1.78 MB

english, 2013

35

Water Dissociation on α 1 -Hafnium and Ytterbium Substituted Dawson Polyoxotungstates: A Density Functional Theory Study †

Derat, Etienne, Lacôte, Emmanuel, Hasenknopf, Bernold, Thorimbert, Serge, Malacria, Max

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 1.24 MB

english, 2008

36

A Bioinspired Molybdenum Complex as a Catalyst for the Photo- and Electroreduction of Protons

Porcher, Jean-Philippe, Fogeron, Thibault, Gomez-Mingot, Maria, Derat, Etienne, Chamoreau, Lise-Marie, Li, Yun, Fontecave, Marc

Journal:

Angewandte Chemie

Year:

2015

Language:

english

File:

PDF, 841 KB

english, 2015

37

Palladium-Catalyzed Reaction of Aryl Iodides with ortho-Bromoanilines and Norbornene/Norbornadiene: Unexpected Formation of Dibenzoazepine Derivatives

Dr. Nicola Della Ca', Dr. Giovanni Maestri, Prof. Max Malacria, Dr. Etienne Derat, Prof. Marta Catellani

Journal:

Angewandte Chemie

Year:

2011

Language:

english

File:

PDF, 545 KB

english, 2011

38

Compound I in Heme Thiolate Enzymes: A Comparative QM/MM Study †

Cho, Kyung-Bin, Hirao, Hajime, Chen, Hui, Carvajal, Maria Angels, Cohen, Shimrit, Derat, Etienne, Thiel, Walter, Shaik, Sason

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 445 KB

english, 2008

39

Catalysts for Monooxygenations Made from Polyoxometalate: An Iron(V)−Oxo Derivative of the Lindqvist Anion

Derat, Etienne, Kumar, Devesh, Neumann, Ronny, Shaik, Sason

Journal:

Inorganic Chemistry

Year:

2006

Language:

english

File:

PDF, 682 KB

english, 2006

40

Î²-CyclodextrinâNHCâGold(I) Complex (Î²-ICyD)AuCl: A Chiral Nanoreactor for Enantioselective and Substrate-Selective Alkoxycyclization Reactions

Tugny, Coralie, del Rio, Natalia, Koohgard, Mehdi, Vanthuyne, Nicolas, Lesage, Denis, Bijouard, Kajetan, Zhang, Pinglu, Meijide SuÃ¡rez, Jorge, Roland, Sylvain, Derat, Etienne, Bistri-Aslanoff, Olivia

Journal:

Year:

2020

File:

PDF, 723 KB

2020

41

New Elements on the Behaviour of a Bissulfinylmethyl Radical

Mallorquin, Rocio Martinez, Vincent, Guillaume, Derat, Etienne, Malacria, Max, Goddard, Jean-Philippe, Fensterbank, Louis

Journal:

Australian Journal of Chemistry

Year:

2013

Language:

english

File:

PDF, 1008 KB

english, 2013

42

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

Kumar, Devesh, Derat, Etienne, Khenkin, Alexander M., Neumann, Ronny, Shaik, Sason

Journal:

Journal of the American Chemical Society

Year:

2005

Language:

english

File:

PDF, 541 KB

english, 2005

43

Hydrometalation or Condensation in the Reaction of Cl 2 ZrEt 2 with H 2 CO. A Theoretical Account

Derat, Etienne, Bouquant, James, Bertus, Philippe, Szymoniak, Jan, Humbel, Stéphane

Journal:

Organometallics

Year:

2004

Language:

english

File:

PDF, 279 KB

english, 2004

44

Fixation of the Two Tabun Isomers in Acetylcholinesterase: A QM/MM Study

Kwasnieski, Ophélie, Verdier, Laurent, Malacria, Max, Derat, Etienne

Journal:

Journal of Physical Chemistry B

Year:

2009

Language:

english

File:

PDF, 4.61 MB

english, 2009

45

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 Clock Substrate

Derat, Etienne, Kumar, Devesh, Hirao, Hajime, Shaik, Sason

Journal:

Journal of the American Chemical Society

Year:

2006

Language:

english

File:

PDF, 943 KB

english, 2006

46

A Bioinspired Molybdenum Complex as a Catalyst for the Photo- and Electroreduction of Protons

Porcher, Jean-Philippe, Fogeron, Thibault, Gomez-Mingot, Maria, Derat, Etienne, Chamoreau, Lise-Marie, Li, Yun, Fontecave, Marc

Journal:

Angewandte Chemie International Edition

Year:

2015

Language:

english

File:

PDF, 852 KB

english, 2015

47

Photochromism and Dual-Color Fluorescence in a Polyoxometalate-Benzospiropyran Molecular Switch

Parrot, Arnaud, Bernard, Aurélie, Jacquart, Aurélie, Serapian, Stefano Artin, Bo, Carles, Derat, Etienne, Oms, Olivier, Dolbecq, Anne, Proust, Anna, Métivier, Rémi, Mialane, Pierre, Izzet, Guillaume

Journal:

Angewandte Chemie International Edition

Year:

2017

Language:

english

File:

PDF, 939 KB

english, 2017

48

Quantum Mechanical/Molecular Mechanical Study on the Mechanisms of Compound I Formation in the Catalytic Cycle of Chloroperoxidase: An Overview on Heme Enzymes

Chen, Hui, Hirao, Hajime, Derat, Etienne, Schlichting, Ilme, Shaik, Sason

Journal:

Journal of Physical Chemistry B

Year:

2008

Language:

english

File:

PDF, 1.30 MB

english, 2008

49

C–H Activation/Functionalization Catalyzed by Simple, Well-Defined Low-Valent Cobalt Complexes

Fallon, Brendan J., Derat, Etienne, Amatore, Muriel, Aubert, Corinne, Chemla, Fabrice, Ferreira, Franck, Perez-Luna, Alejandro, Petit, Marc

Journal:

Journal of the American Chemical Society

Year:

2015

Language:

english

File:

PDF, 911 KB

english, 2015

50

ChemInform Abstract: C-H Activation/Functionalization Catalyzed by Simple, Well-Defined Low-Valent Cobalt Complexes.

Fallon, Brendan J., Derat, Etienne, Amatore, Muriel, Aubert, Corinne, Chemla, Fabrice, Ferreira, Franck, Perez-Luna, Alejandro, Petit, Marc

Journal:

Year:

2015

File:

PDF, 22 KB

2015

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