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Proceedings
2009 Annual Meeting
Catalysis and Reaction Engineering Division
Computational Catalysis II: Transition Metals
2009 Annual Meeting
Session: Computational Catalysis II: Transition Metals
Co-Chair
Andreas Heyden
, University of South Carolina
Presentations
12:30 PM
(85a) Dehydrogenation, Hydrogenolysis and Oxidation of Ethane On Pt: Density Functional Theory Study and Microkinetic Analysis
Ying Chen, Michael Salciccioli
12:50 PM
(85b) Oxidation Properties of Pt-Ni Surface Alloys
Aslihan Sumer, Elif Ercan, A. Erhan Aksoylu
01:10 PM
(85c) Adsorption and Activation of Methyl Acetate On Pd Surfaces
Lijun Xu
01:30 PM
(85d) Theoretical Insights Into the Catalytic Oxidation of Methane Over Pt and Rh Surfaces
Corneliu Buda, Ya-Huei (Cathy) Chin, Enrique Iglesia, Matthew Neurock
01:50 PM
(85e) DFT Characterization of H2O2 Selective Synthesis On Transition Metal Catalysts
Rees B. Rankin, Jeff Greeley
02:10 PM
(85f) Steam Methane Reforming Over Ni and Ni/Ag Catalysts − Gaining Mechanistic Insight through DFT and Experiment
D. Wayne Blaylock, De Chen, Hongmin Wang, Anh Dam
02:30 PM
(85g) Thermodynamics of Dimethyl Ether Decomposition
Jeffrey A. Herron, Peter Ferrin, Manos Mavrikakis
