John A. Keith

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Emily A. CarterSenior Strategic Advisor for Sustainability Science, PPPL and Gerhard R. Andlinger Professor inVerifierad e-postadress på princeton.edu
Timo JacobProfessor Physikalische Chemie, Universität UlmVerifierad e-postadress på uni-ulm.de
Karthikeyan SaravananUniversity of PittsburghVerifierad e-postadress på pitt.edu
Yasemin BasdoganAssistant Professor of Chemical Engineering, University of RochesterVerifierad e-postadress på rochester.edu
Michele PavoneFull Professor of Physical Chemistry - Dept. Chemical Sciences, University of Naples Federico IIVerifierad e-postadress på unina.it
Charles D. GriegoScience and Engineering Librarian, Carnegie Mellon UniversityVerifierad e-postadress på andrew.cmu.edu
Ana Belén Muñoz-GarcíaAssociate Professor, Department of Physics, University of Naples Federico IIVerifierad e-postadress på unina.it
William A Goddard IIIProfessor Chemistry, Materials Science, Applied PhysicsVerifierad e-postadress på caltech.edu
Andrew RitzmannPacific Northwest National LaboratoryVerifierad e-postadress på pnnl.gov
Alex M. MaldonadoPostdoctoral Associate, University of PittsburghVerifierad e-postadress på pitt.edu
Kyle A. GriceProfessor of Inorganic Chemistry, DePaul UniversityVerifierad e-postadress på depaul.edu
Valentin Vassilev-GalindoIMDEA Materials InstituteVerifierad e-postadress på imdea.org
Alexandre TkatchenkoProfessor of Physics, University of Luxembourg; Visiting Professor, TU Berlin; APS Fellow; FRSCVerifierad e-postadress på uni.lu
Robert J. NielsenUniversity of California IrvineVerifierad e-postadress på uci.edu
John KitchinCarnegie Mellon UniversityVerifierad e-postadress på andrew.cmu.edu
Michael GasteggerMicrosoft Research AI4ScienceVerifierad e-postadress på microsoft.com
Bingqing ChengAssistant Professor at University of California, BerkeleyVerifierad e-postadress på berkeley.edu
Klaus-Robert MüllerGoogle DeepMind & TU Berlin & Korea University & Max Planck Institute for Informatics, GermanyVerifierad e-postadress på tu-berlin.de
Stefan ChmielaTechnische Universität BerlinVerifierad e-postadress på chmiela.com
Brian StoltzProfessor of Chemistry, California Institute of TechnologyVerifierad e-postadress på caltech.edu

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John A. Keith

R.K. Mellon Faculty Fellow in Energy, Associate Professor, Chemical & Petroleum Engineering, PITT

Verifierad e-postadress på pitt.edu - Startsida

Computational chemistry catalysis energy materials green chemical design


Titel Sortera efter citat Sortera efter år Sortera efter titel	Citeras av Citeras av	År
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	662	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	592	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	451	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	364*	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	316	2013
Theoretical Investigations of the Oxygen Reduction Reaction on Pt (111) JA Keith, G Jerkiewicz, T Jacob ChemPhysChem 11 (13), 2779-2794, 2010	262	2010
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 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	243	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 La_1-xSr_xFeO_3-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	207	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	159	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	145	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	107	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	107	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

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