| Combining Machine Learning and Computational Chemistry for Predictive Insights Into Chemical Systems JA Keith, V Vassilev-Galindo, B Cheng, S Chmiela, M Gastegger, ... Chemical Reviews 121 (16), 9816-9872, 2021 | 640 | 2021 |
| Water oxidation on pure and doped hematite (0001) surfaces: Prediction of Co and Ni as effective dopants for electrocatalysis P Liao, JA Keith, EA Carter Journal of the American Chemical Society 134 (32), 13296-13309, 2012 | 590 | 2012 |
| Using nature’s blueprint to expand catalysis with Earth-abundant metals RM Bullock, JG Chen, L Gagliardi, PJ Chirik, OK Farha, CH Hendon, ... Science 369 (6505), eabc3183, 2020 | 450 | 2020 |
| The mechanism of the Wacker reaction: a tale of two hydroxypalladations JA Keith, PM Henry Angewandte Chemie International Edition 48 (48), 9038-9049, 2009 | 365* | 2009 |
| Elucidation of the Selectivity of Proton-Dependent Electrocatalytic CO2 Reduction by fac-Re(bpy)(CO)3Cl JA Keith, KA Grice, CP Kubiak, EA Carter Journal of the American Chemical Society 135 (42), 15823-15829, 2013 | 314 | 2013 |
| Theoretical Studies of Potential‐Dependent and Competing Mechanisms of the Electrocatalytic Oxygen Reduction Reaction on Pt (111) JA Keith, T Jacob Angewandte Chemie International Edition 49 (49), 9521-9525, 2010 | 261 | 2010 |
| Theoretical Investigations of the Oxygen Reduction Reaction on Pt (111) JA Keith, G Jerkiewicz, T Jacob ChemPhysChem 11 (13), 2779-2794, 2010 | 260 | 2010 |
| Theoretical elucidation of the competitive electro-oxidation mechanisms of formic acid on Pt (111) W Gao, JA Keith, J Anton, T Jacob Journal of the American Chemical Society 132 (51), 18377-18385, 2010 | 242 | 2010 |
| Theoretical Insights into Pyridinium-Based Photoelectrocatalytic Reduction of CO2 JA Keith, EA Carter Journal of the American Chemical Society 134 (18), 7580-7583, 2012 | 225 | 2012 |
| Ab Initio DFT+U Analysis of Oxygen Vacancy Formation and Migration in La1-xSrxFeO3-δ (x = 0, 0.25, 0.50) AM Ritzmann, AB Muñoz-García, M Pavone, JA Keith, EA Carter Chemistry of Materials 25 (15), 3011-3019, 2013 | 208 | 2013 |
| The Electronic States of Rhenium Bipyridyl Electrocatalysts for CO2 Reduction as Revealed by X‐ray Absorption Spectroscopy and Computational Quantum Chemistry EE Benson, MD Sampson, KA Grice, JM Smieja, JD Froehlich, D Friebel, ... Angewandte Chemie 125 (18), 4941-4944, 2013 | 158 | 2013 |
| The inner-sphere process in the enantioselective Tsuji allylation reaction with (S)-t-Bu-phosphinooxazoline ligands JA Keith, DC Behenna, JT Mohr, S Ma, SC Marinescu, J Oxgaard, ... Journal of the American Chemical Society 129 (39), 11876-11877, 2007 | 155 | 2007 |
| Oxygen transport in perovskite-type solid oxide fuel cell materials: insights from quantum mechanics AB Muñoz-García, AM Ritzmann, M Pavone, JA Keith, EA Carter Accounts of chemical research 47 (11), 3340-3348, 2014 | 147 | 2014 |
| Unraveling the Wacker Oxidation Mechanisms JA Keith, RJ Nielsen, J Oxgaard, WA Goddard III Journal of the American Chemical Society 129 (41), 12342-12343, 2007 | 146 | 2007 |
| Electrochemical reactivities of pyridinium in solution: consequences for CO 2 reduction mechanisms JA Keith, EA Carter Chemical Science 4 (4), 1490-1496, 2013 | 143 | 2013 |
| 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 | 130 | 2012 |
| Quantum chemical benchmarking, validation, and prediction of acidity constants for substituted pyridinium ions and pyridinyl radicals JA Keith, EA Carter Journal of chemical theory and computation 8 (9), 3187-3206, 2012 | 115 | 2012 |
| Free Standing Nanoporous Palladium Alloys as CO Poisoning Tolerant Electrocatalysts for the Electrochemical Reduction of CO2 to Formate S Chatterjee, C Griego, JL Hart, Y Li, ML Taheri, J Keith, JD Snyder ACS CATALYSIS 9 (6), 5290-5301, 2019 | 106 | 2019 |
| Ab initio DFT+ U analysis of oxygen transport in LaCoO 3: the effect of Co 3+ magnetic states AM Ritzmann, M Pavone, AB Muñoz-García, JA Keith, EA Carter Journal of Materials Chemistry A 2 (21), 8060-8074, 2014 | 106 | 2014 |
| Neural network and ReaxFF comparison for Au properties JR Boes, MC Groenenboom, JA Keith, JR Kitchin International Journal of Quantum Chemistry 116 (13), 979-987, 2016 | 96 | 2016 |
Emily A. CarterSenior Strategic Advisor for Sustainability Science, PPPL and Gerhard R. Andlinger Professor in確認したメール アドレス: princeton.edu