| 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 | 551 | 2012 |
| Selective Oxidation of Methane to Methanol Catalyzed, with C H Activation, by Homogeneous, Cationic Gold CJ Jones, D Taube, VR Ziatdinov, RA Periana, RJ Nielsen, J Oxgaard, ... Angewandte Chemie 116 (35), 4726-4729, 2004 | 350 | 2004 |
| Efficient hydrogen evolution by ternary molybdenum sulfoselenide particles on self-standing porous nickel diselenide foam H Zhou, F Yu, Y Huang, J Sun, Z Zhu, RJ Nielsen, R He, J Bao, ... Nature communications 7, 12765, 2016 | 347 | 2016 |
| The Reaction Mechanism with Free Energy Barriers at Constant Potentials for the Oxygen Evolution Reaction at the IrO2 (110) Surface Y Ping, RJ Nielsen, WA Goddard III Journal of the American Chemical Society 139 (1), 149-155, 2016 | 308 | 2016 |
| The Reaction Mechanism with Free Energy Barriers for Electrochemical Dihydrogen Evolution on MoS2 Y Huang, RJ Nielsen, WA Goddard III, MP Soriaga Journal of the American Chemical Society 137 (20), 6692-6698, 2015 | 217 | 2015 |
| Mechanistic analysis of iridium heteroatom CH activation: Evidence for an internal electrophilic substitution mechanism J Oxgaard, WJ Tenn, RJ Nielsen, RA Periana, WA Goddard Organometallics 26 (7), 1565-1567, 2007 | 206 | 2007 |
| Brønsted basicity of the air–water interface H Mishra, S Enami, RJ Nielsen, LA Stewart, MR Hoffmann, WA Goddard, ... Proceedings of the National Academy of Sciences 109 (46), 18679-18683, 2012 | 200 | 2012 |
| Engineering the composition and crystallinity of molybdenum sulfide for high-performance electrocatalytic hydrogen evolution Y Li, Y Yu, Y Huang, RA Nielsen, WA Goddard III, Y Li, L Cao ACS Catalysis 5 (1), 448-455, 2014 | 159 | 2014 |
| Reaction mechanism and kinetics for ammonia synthesis on the Fe (111) Surface J Qian, Q An, A Fortunelli, RJ Nielsen, WA Goddard Journal of the American Chemical Society, 2018 | 155 | 2018 |
| Reaction Mechanism for the Hydrogen Evolution Reaction on the Basal Plane Sulfur Vacancy Site of MoS2 Using Grand Canonical Potential Kinetics Y Huang, RJ Nielsen, WA Goddard III Journal of the American Chemical Society 140 (48), 16773-16782, 2018 | 150 | 2018 |
| Toward models for the full oxygen-evolving complex of photosystem II by ligand coordination to lower the symmetry of the Mn3CaO4 cubane: Demonstration that electronic effects … JS Kanady, PH Lin, KM Carsch, RJ Nielsen, MK Takase, WA Goddard III, ... Journal of the American Chemical Society 136 (41), 14373-14376, 2014 | 149 | 2014 |
| Unraveling the Wacker oxidation mechanisms JA Keith, RJ Nielsen, J Oxgaard, WA Goddard Journal of the American Chemical Society 129 (41), 12342-12343, 2007 | 143 | 2007 |
| Product Protection, the Key to Developing High Performance Methane Selective Oxidation Catalysts M Ahlquist, RJ Nielsen, RA Periana, WA Goddard III Journal of the American Chemical Society 131 (47), 17110-17115, 2009 | 140 | 2009 |
| The reaction mechanism of the enantioselective Tsuji allylation: inner-sphere and outer-sphere pathways, internal rearrangements, and asymmetric C–C bond formation JA Keith, DC Behenna, N Sherden, JT Mohr, S Ma, SC Marinescu, ... Journal of the American Chemical Society 134 (46), 19050-19060, 2012 | 128 | 2012 |
| A Computational Model Relating Structure and Reactivity in Enantioselective Oxidations of Secondary Alcohols by (-)-Sparteine-PdII Complexes RJ Nielsen, JM Keith, BM Stoltz, WA Goddard Journal of the American Chemical Society 126 (25), 7967-7974, 2004 | 115 | 2004 |
| Oxygen atom transfer and oxidative water incorporation in cuboidal Mn3MO n complexes based on synthetic, isotopic labeling, and computational studies JS Kanady, JL Mendoza-Cortes, EY Tsui, RJ Nielsen, WA Goddard III, ... Journal of the American Chemical Society 135 (3), 1073-1082, 2013 | 112 | 2013 |
| Pd-mediated activation of molecular oxygen in a nonpolar medium JM Keith, RJ Nielsen, J Oxgaard, WA Goddard Journal of the American Chemical Society 127 (38), 13172-13179, 2005 | 112 | 2005 |
| Heterolytic CH activation and catalysis by an O-donor iridium-hydroxo complex WJ Tenn, KJH Young, J Oxgaard, RJ Nielsen, WA Goddard, RA Periana Organometallics 25 (21), 5173-5175, 2006 | 96 | 2006 |
| Mechanism of the aerobic oxidation of alcohols by palladium complexes of N-heterocyclic carbenes RJ Nielsen, WA Goddard Journal of the American Chemical Society 128 (30), 9651-9660, 2006 | 96 | 2006 |
| A Mn Bipyrimidine Catalyst Predicted To Reduce CO2 at Lower Overpotential YC Lam, RJ Nielsen, HB Gray, WA Goddard III ACS Catalysis 5 (4), 2521-2528, 2015 | 95 | 2015 |