Univ Lyon, Ecole Normale Supérieure de Lyon, CNRS, Université Lyon 1, Laboratoire de Chimie UMR
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Molecular adsorption at Pt (111). How accurate are DFT functionals?
S Gautier, SN Steinmann, C Michel, P Fleurat-Lessard, P Sautet
Physical Chemistry Chemical Physics 17 (43), 28921-28930, 2015
Role of water in metal catalyst performance for ketone hydrogenation: a joint experimental and theoretical study on levulinic acid conversion into gamma-valerolactone
C Michel, J Zaffran, AM Ruppert, J Matras-Michalska, M Jędrzejczyk, ...
Chemical communications 50 (83), 12450-12453, 2014
Silver versus gold catalysis in tandem reactions of carbonyl functions onto alkynes: A versatile access to furoquinoline and pyranoquinoline cores
T Godet, C Vaxelaire, C Michel, A Milet, P Belmont
Chemistry–A European Journal 13 (19), 5632-5641, 2007
Why is ruthenium an efficient catalyst for the aqueous-phase hydrogenation of biosourced carbonyl compounds?
C Michel, P Gallezot
Acs Catalysis 5 (7), 4130-4132, 2015
A high performance grid-based algorithm for computing QTAIM properties
JI Rodríguez, RFW Bader, PW Ayers, C Michel, AW Götz, C Bo
Chemical Physics Letters 472 (1-3), 149-152, 2009
Ru catalysts for levulinic acid hydrogenation with formic acid as a hydrogen source
AM Ruppert, M Jędrzejczyk, O Sneka-Płatek, N Keller, AS Dumon, ...
Green chemistry 18 (7), 2014-2028, 2016
Ethanol electro-oxidation on palladium revisited using polarization modulation infrared reflection absorption spectroscopy (PM-IRRAS) and density functional theory (DFT): why …
EA Monyoncho, SN Steinmann, C Michel, EA Baranova, TK Woo, ...
Acs Catalysis 6 (8), 4894-4906, 2016
Unravelling the mechanism of glycerol hydrogenolysis over rhodium catalyst through combined experimental–theoretical investigations
F Auneau, C Michel, F Delbecq, C Pinel, P Sautet
Chemistry–A European Journal 17 (50), 14288-14299, 2011
Impacts of electrode potentials and solvents on the electroreduction of CO 2: a comparison of theoretical approaches
SN Steinmann, C Michel, R Schwiedernoch, P Sautet
Physical Chemistry Chemical Physics 17 (21), 13949-13963, 2015
Activation of the C− H bond by electrophilic attack: Theoretical study of the reaction mechanism of the aerobic oxidation of alcohols to aldehydes by the Cu (bipy) 2+/2, 2, 6 …
C Michel, P Belanzoni, P Gamez, J Reedijk, EJ Baerends
Inorganic chemistry 48 (24), 11909-11920, 2009
Solvation free energies for periodic surfaces: comparison of implicit and explicit solvation models
SN Steinmann, P Sautet, C Michel
Physical Chemistry Chemical Physics 18 (46), 31850-31861, 2016
Computationally exploring confinement effects in the methane-to-methanol conversion over iron-oxo centers in zeolites
F Goltl, C Michel, PC Andrikopoulos, AM Love, J Hafner, I Hermans, ...
Acs Catalysis 6 (12), 8404-8409, 2016
C–H versus O–H bond dissociation for alcohols on a Rh (111) surface: a strong assistance from hydrogen bonded neighbors
C Michel, F Auneau, F Delbecq, P Sautet
ACS Catalysis 1 (10), 1430-1440, 2011
Key Role of Anionic Doping for H2 Production from Formic Acid on Pd(111)
P Wang, SN Steinmann, G Fu, C Michel, P Sautet
ACS Catalysis 7 (3), 1955-1959, 2017
Multiscale modeling of chemistry in water: Are we there yet?
RE Bulo, C Michel, P Fleurat-Lessard, P Sautet
Journal of chemical theory and computation 9 (12), 5567-5577, 2013
Rational design of selective metal catalysts for alcohol amination with ammonia
T Wang, J Ibañez, K Wang, L Fang, M Sabbe, C Michel, S Paul, ...
Nature Catalysis 2 (9), 773-779, 2019
What Singles out the FeO2+ Moiety? A Density-Functional Theory Study of the Methane-to-Methanol Reaction Catalyzed by the First Row Transition-Metal Oxide Dications MO (H2O) p …
C Michel, EJ Baerends
Inorganic chemistry 48 (8), 3628-3638, 2009
Heterogeneous transformation of glycerol to lactic acid
F Auneau, LS Arani, M Besson, L Djakovitch, C Michel, F Delbecq, ...
Topics in Catalysis 55, 474-479, 2012
Structural, Kinetic, and Theoretical Studies on Models of the Zinc‐Containing Phosphodiesterase Active Center: Medium‐Dependent Reaction Mechanisms
K Selmeczi, C Michel, A Milet, I Gautier‐Luneau, C Philouze, JL Pierre, ...
Chemistry–A European Journal 13 (32), 9093-9106, 2007
On the key role of hydroxyl groups in platinum-catalysed alcohol oxidation in aqueous medium
S Chibani, C Michel, F Delbecq, C Pinel, M Besson
Catalysis Science & Technology 3 (2), 339-350, 2013
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