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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
Lo, C. S.
, 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
He, M.
,
McAliley, J.
08:50 AM
(211b) Development and Application of a ReaxFF Description for Formation of Hydrocarbons On Iron and Iron Carbide Fisher-Tropsch Catalysts
Zou, C.
,
van Duin, A.
09:10 AM
(211c) Investigation of Structure Sensitivity for the CO Oxidation Chemistry On Pt and Au
Stamatakis, M.
09:30 AM
(211d) Selective Methane-to-Methanol Oxidation On Bimetallic Transition Metal Surfaces
Bjorkman, K.
09:50 AM
(211e) Mechanistic Studies of Oxygen Reduction by Hydrogen On PdAg(110)
Farberow, C. A.
,
Godinez-Garcia, A.
,
Perez-Robles, J. F.
,
Solorza-Fería, O.
,
Mavrikakis, M.
10:10 AM
(211f) A First Principles Analysis of the Selective Hydrogenation of Unsaturated Ketones: Influence of Hydrocarbon Structure
Hao, B.
,
Neurock, M.
10:30 AM
(211g) Reaction Free Energies In Solutions for Glucose Conversion Into Biomass Intermediates
Choudhary, V.