Search Results - "Plaisance, Craig P"

Lewis–Brønsted Acid Pairs in Ga/H-ZSM‑5 To Catalyze Dehydrogenation of Light Alkanes by Schreiber, Moritz W, Plaisance, Craig P, Baumgärtl, Martin, Reuter, Karsten, Jentys, Andreas, Bermejo-Deval, Ricardo, Lercher, Johannes A

“…The active sites for propane dehydrogenation in Ga/H-ZSM-5 with moderate concentrations of tetrahedral aluminum in the lattice were identified to be…”
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Structure Sensitivity of the Oxygen Evolution Reaction Catalyzed by Cobalt(II,III) Oxide by Plaisance, Craig P, van Santen, Rutger A

“…Quantum chemical calculations and simulated kinetics were used to examine the structure sensitivity of the oxygen evolution reaction on several surface…”
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Generalized Temporal Acceleration Scheme for Kinetic Monte Carlo Simulations of Surface Catalytic Processes by Scaling the Rates of Fast Reactions by Dybeck, Eric C, Plaisance, Craig P, Neurock, Matthew

“…A novel algorithm is presented that achieves temporal acceleration during kinetic Monte Carlo (KMC) simulations of surface catalytic processes. This algorithm…”
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Kinetics-Based Computational Catalyst Design Strategy for the Oxygen Evolution Reaction on Transition-Metal Oxide Surfaces by Plaisance, Craig P, Beinlich, Simeon D, Reuter, Karsten

“…Density functional theory was used to examine the oxygen evolution reaction on a large number of active sites formed by doping three different surfaces of…”
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Constrained-Orbital Density Functional Theory. Computational Method and Applications to Surface Chemical Processes by Plaisance, Craig P, van Santen, Rutger A, Reuter, Karsten

“…We present a method for performing density-functional theory (DFT) calculations in which one or more Kohn–Sham orbitals are constrained to be localized on…”
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Ketones from acid condensation using supported CeO2 catalysts : Effect of additives by DOOLEY, Kerry M, BHAT, Arvind K, PLAISANCE, Craig P, ROY, Amitava D

“…Metal-doped, supported CeO2/Al2O3 catalysts are effective for the high temperature decarboxylative condensation of carboxylic acids to produce ketones…”
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Zeolite and Metal Oxide Catalysts for the Production of Dimethyl Sulfide and Methanethiol by Plaisance, Craig P, Dooley, Kerry M

“…Metal oxide and zeolite catalysts were examined for the production of methanethiol and dimethyl sulfide by condensation of methanol and hydrogen sulfide…”
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Ketones from acid condensation using supported CeO 2 catalysts: Effect of additives by Dooley, Kerry M., Bhat, Arvind K., Plaisance, Craig P., Roy, Amitava D.

“…Metal-doped, supported CeO 2/Al 2O 3 catalysts are effective for the high temperature decarboxylative condensation of carboxylic acids to produce ketones…”
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