Lewis–Brønsted acid pairs in Ga/H-ZSM-5 to catalyze dehydrogenation of light alkanes MW Schreiber, CP Plaisance, M Baumgärtl, K Reuter, A Jentys, ... Journal of the American Chemical Society 140 (14), 4849-4859, 2018 | 236 | 2018 |
Structure sensitivity of the oxygen evolution reaction catalyzed by cobalt (II, III) oxide CP Plaisance, RA van Santen Journal of the American Chemical Society 137 (46), 14660-14672, 2015 | 138 | 2015 |
Ketones from acid condensation using supported CeO2 catalysts: Effect of additives KM Dooley, AK Bhat, CP Plaisance, AD Roy Applied Catalysis A: General 320, 122-133, 2007 | 112 | 2007 |
Density functional theory based screening of ternary alkali-transition metal borohydrides: A computational material design project JS Hummelshøj, DD Landis, J Voss, T Jiang, A Tekin, N Bork, M Dułak, ... The Journal of chemical physics 131 (1), 2009 | 84 | 2009 |
Generalized Temporal Acceleration Scheme for Kinetic Monte Carlo Simulations of Surface Catalytic Processes by Scaling the Rates of Fast Reactions MN Eric Christopher Dybeck, Craig Patrick Plaisance Journal of Chemical Theory and Computation, 2017 | 83 | 2017 |
Assessment of mean-field microkinetic models for CO methanation on stepped metal surfaces using accelerated kinetic Monte Carlo M Andersen, C Plaisance, K Reuter J. Chem. Phys. 147, 152705, 2017 | 72 | 2017 |
Monte Carlo and density functional theory analysis of the distribution of gold and palladium atoms on alloys JA Boscoboinik, C Plaisance, M Neurock, WT Tysoe Physical Review B—Condensed Matter and Materials Physics 77 (4), 045422, 2008 | 70 | 2008 |
Perspective: On the active site model in computational catalyst screening K Reuter, CP Plaisance, H Oberhofer, M Andersen The Journal of Chemical Physics 146 (4), 2017 | 57 | 2017 |
Addressing global uncertainty and sensitivity in first-principles based microkinetic models by an adaptive sparse grid approach S Döpking, CP Plaisance, D Strobusch, K Reuter, C Scheurer, S Matera The Journal of Chemical Physics 148 (3), 2018 | 35 | 2018 |
A new computational interface for catalysis P Kravchenko, C Plaisance, D Hibbitts | 30 | 2019 |
Stabilizing the B-site oxidation state in ABO 3 perovskite nanoparticles T Ofoegbuna, P Darapaneni, S Sahu, C Plaisance, JA Dorman Nanoscale 11 (30), 14303-14311, 2019 | 26 | 2019 |
Constrained-orbital density functional theory. Computational method and applications to surface chemical processes CP Plaisance, RA Van Santen, K Reuter Journal of Chemical Theory and Computation 13 (8), 3561-3574, 2017 | 22 | 2017 |
Quantum chemistry of the oxygen evolution reaction on cobalt (ii, iii) oxide–implications for designing the optimal catalyst CP Plaisance, K Reuter, RA van Santen Faraday discussions 188, 199-226, 2016 | 22 | 2016 |
Zeolite and metal oxide catalysts for the production of dimethyl sulfide and methanethiol CP Plaisance, KM Dooley Catalysis letters 128, 449-458, 2009 | 18 | 2009 |
Structure and decomposition pathways of vinyl acetate on clean and oxygen-covered Pd (100) Z Li, F Calaza, C Plaisance, M Neurock, WT Tysoe The Journal of Physical Chemistry C 113 (3), 971-978, 2009 | 18 | 2009 |
Structure of the Au/Pd (100) alloy surface M Garvey, JA Boscoboinik, L Burkholder, J Walker, C Plaisance, ... The Journal of Physical Chemistry C 116 (7), 4692-4697, 2012 | 12 | 2012 |
Kinetics-based computational catalyst design strategy for the oxygen evolution reaction on transition-metal oxide surfaces CP Plaisance, SD Beinlich, K Reuter The Journal of Physical Chemistry C 123 (13), 8287-8303, 2018 | 10 | 2018 |
An implicit electrolyte model for plane wave density functional theory exhibiting nonlinear response and a nonlocal cavity definition SM Islam, F Khezeli, S Ringe, C Plaisance The Journal of Chemical Physics 159 (23), 2023 | 9 | 2023 |
Communication—Electrocatalytic Coupling of Methane at Platinum Oxide Electrodes in Superacids G Li, Y Fang, C Arges, C Plaisance, J Flake Journal of The Electrochemical Society 167 (15), 155503, 2020 | 6 | 2020 |
Adsorption of Polarized Molecules for Interfacial Band Engineering of Doped TiO2 Thin Films P Darapaneni, O Kizilkaya, C Plaisance, JA Dorman Langmuir 36 (21), 5839-5846, 2020 | 6 | 2020 |