| 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 | 273 | 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 | 214 | 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 | 195 | 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 | 194 | 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 | 180 | 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 | 153 | 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 | 143 | 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 | 123 | 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 | 122 | 2015 |
| 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 | 112 | 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 | 110 | 2016 |
| 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 | 109 | 2009 |
| 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 | 97 | 2011 |
| 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 | 93 | 2019 |
| 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 | 85 | 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 | 81 | 2013 |
| 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 | 76 | 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 | 74 | 2012 |
| 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 | 66 | 2013 |
| Reactivity of shape-controlled crystals and metadynamics simulations locate the weak spots of alumina in water R Réocreux, É Girel, P Clabaut, A Tuel, M Besson, A Chaumonnot, ... Nature communications 10 (1), 3139, 2019 | 62 | 2019 |