Identification of highly active Fe sites in (Ni, Fe) OOH for electrocatalytic water splitting D Friebel, MW Louie, M Bajdich, KE Sanwald, Y Cai, AM Wise, MJ Cheng, ... Journal of the American Chemical Society 137 (3), 1305-1313, 2015 | 1282 | 2015 |
Oxidative aliphatic CH fluorination with fluoride ion catalyzed by a manganese porphyrin W Liu, X Huang, MJ Cheng, RJ Nielsen, WA Goddard, JT Groves Science 337 (6100), 1322-1325, 2012 | 390 | 2012 |
Development and application of a ReaxFF reactive force field for oxidative dehydrogenation on vanadium oxide catalysts K Chenoweth, ACT Van Duin, P Persson, MJ Cheng, J Oxgaard, ... The Journal of Physical Chemistry C 112 (37), 14645-14654, 2008 | 125 | 2008 |
Development of the ReaxFF reactive force field for mechanistic studies of catalytic selective oxidation processes on BiMoO x WA Goddard, A Van Duin, K Chenoweth, MJ Cheng, S Pudar, J Oxgaard, ... Topics in Catalysis 38 (1-3), 93, 2006 | 115 | 2006 |
Quantum Mechanical Screening of Single-Atom Bimetallic Alloys for the Selective Reduction of CO2 to C1 Hydrocarbons MJ Cheng, EL Clark, HH Pham, AT Bell, M Head-Gordon ACS Catalysis 6 (11), 7769-7777, 2016 | 100 | 2016 |
Single-Site Vanadyl Activation, Functionalization, and Reoxidation Reaction Mechanism for Propane Oxidative Dehydrogenation on the Cubic V4O10 Cluster MJ Cheng, K Chenoweth, J Oxgaard, A Van Duin, WA Goddard The Journal of Physical Chemistry C 111 (13), 5115-5127, 2007 | 81 | 2007 |
Ene reaction of arynes with alkynes TT Jayanth, M Jeganmohan, MJ Cheng, SY Chu, CH Cheng Journal of the American Chemical Society 128 (7), 2232-2233, 2006 | 78 | 2006 |
The Critical Role of Phosphate in Vanadium Phosphate Oxide for the Catalytic Activation and Functionalization of n-Butane to Maleic Anhydride MJ Cheng, WA Goddard III Journal of the American Chemical Society 135 (12), 4600-4603, 2013 | 67 | 2013 |
Tailoring Metal-Porphyrin-Like Active Sites on Graphene to Improve the Efficiency and Selectivity of Electrochemical CO2 Reduction MJ Cheng, Y Kwon, M Head-Gordon, AT Bell The Journal of Physical Chemistry C 119 (37), 21345-21352, 2015 | 61 | 2015 |
Structures, mechanisms, and kinetics of selective ammoxidation and oxidation of propane over multi-metal oxide catalysts WA Goddard, K Chenoweth, S Pudar, ACT Van Duin, MJ Cheng Topics in catalysis 50 (1), 2-18, 2008 | 60 | 2008 |
Tuning Gold Nanoparticles with Chelating Ligands for Highly Efficient Electrocatalytic CO2 Reduction Z Cao, SB Zacate, X Sun, J Liu, EM Hale, WP Carson, SB Tyndall, J Xu, ... Angewandte Chemie International Edition 57 (39), 12675-12679, 2018 | 57 | 2018 |
Surface Proton Hopping and Fast-Kinetics Pathway of Water Oxidation on Co3O4 (001) Surface HH Pham, MJ Cheng, H Frei, LW Wang ACS Catalysis 6 (8), 5610-5617, 2016 | 48 | 2016 |
Copper‐Mediated Trifluoromethylation of Benzylic Csp3−H Bonds M Paeth, W Carson, JH Luo, D Tierney, Z Cao, MJ Cheng, W Liu Chemistry–A European Journal 24 (45), 11559-11563, 2018 | 42 | 2018 |
Computational study on the stability of imidazol-2-ylidenes and imidazolin-2-ylidenes MJ Cheng, CH Hu Chemical physics letters 349 (5-6), 477-482, 2001 | 41 | 2001 |
A computational study on the stability of diaminocarbenes MJ Cheng, CH Hu Chemical Physics Letters 322 (1-2), 83-90, 2000 | 40 | 2000 |
In silico design of highly selective Mo-V-Te-Nb-O mixed metal oxide catalysts for ammoxidation and oxidative dehydrogenation of propane and ethane MJ Cheng, WA Goddard III Journal of the American Chemical Society 137 (41), 13224-13227, 2015 | 37 | 2015 |
Experimental and computational evidence of highly active Fe impurity sites on the surface of oxidized Au for the electrocatalytic oxidation of water in basic media S Klaus, L Trotochaud, MJ Cheng, M Head‐Gordon, AT Bell ChemElectroChem 3 (1), 66-73, 2016 | 33 | 2016 |
Csp3–Csp3 Bond-Forming Reductive Elimination from Well-Defined Copper(III) Complexes M Paeth, SB Tyndall, LY Chen, JC Hong, WP Carson, X Liu, X Sun, J Liu, ... Journal of the American Chemical Society 141 (7), 3153-3159, 2019 | 31 | 2019 |
Functionalization of rhenium aryl bonds by O-atom transfer SM Bischof, MJ Cheng, RJ Nielsen, TB Gunnoe, WA Goddard III, ... Organometallics 30 (8), 2079-2082, 2011 | 31 | 2011 |
The reduction-coupled oxo activation (ROA) mechanism responsible for the catalytic selective activation and functionalization of n-butane to maleic anhydride by vanadium … MJ Cheng, WA Goddard, R Fu Topics in Catalysis 57 (14-16), 1171-1187, 2014 | 30 | 2014 |