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Publications
Proceedings
2011 Annual Meeting
Catalysis and Reaction Engineering Division
Computational Catalysis IV
2011 Annual Meeting
Session: Computational Catalysis IV
Co-Chair
Cynthia S. Lo
, Washington University in St. Louis
Presentations
08:30 AM
(211a) Ethanol Synthesis From Syn-Gas: How Surface Diffusion of Intermediates Impacts the Product Distributions Predicted for Bimetallic Catalysts
Ming He, James McAliley
08:50 AM
(211b) Development and Application of a ReaxFF Description for Formation of Hydrocarbons On Iron and Iron Carbide Fisher-Tropsch Catalysts
Chenyu Zou, Adri van Duin
09:10 AM
(211c) Investigation of Structure Sensitivity for the CO Oxidation Chemistry On Pt and Au
Michail Stamatakis
09:30 AM
(211d) Selective Methane-to-Methanol Oxidation On Bimetallic Transition Metal Surfaces
Kathryn Bjorkman
09:50 AM
(211e) Mechanistic Studies of Oxygen Reduction by Hydrogen On PdAg(110)
Carrie A. Farberow, Andres Godinez-Garcia, Juan Francisco Perez-Robles, Omar Solorza-Fería, Manos Mavrikakis
10:10 AM
(211f) A First Principles Analysis of the Selective Hydrogenation of Unsaturated Ketones: Influence of Hydrocarbon Structure
Bing Hao, Matthew Neurock
10:30 AM
(211g) Reaction Free Energies In Solutions for Glucose Conversion Into Biomass Intermediates
Vinit Choudhary
