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Publications
Proceedings
2012 AIChE Annual Meeting
Catalysis and Reaction Engineering Division
Computational Catalysis II
2012 AIChE Annual Meeting
Session: Computational Catalysis II
Co-Chair
N. A. Deskins
, Worcester Polytechnic Institute
Presentations
03:15 PM
(134a) Structure Sensitivity of Dimethyl Ether Electro-Oxidation
Manos Mavrikakis, Luke Roling
03:35 PM
(134b) Investigation of Ammonia Oxidation On the Platinum Surface for Hydrogen Generation
Damilola A. Daramola, Gerardine G. Botte
03:55 PM
(134c) Multiscale Modeling of the H2 Oxidation Reaction At the Ni/YSZ Interface in the Presence and Absence of Sulfur
Andreas Heyden
04:15 PM
(134d) Effects of Crystal Structure, Oxidation State, Vacancy Concentration and Composition On Perovskite Reactivity
04:35 PM
(134e) DFT Predictions On the Kinetics and Bond Selectivity of Propane Activation On Palladium Oxide(101) Surface
Abbin Antony
04:55 PM
(134f) Modeling the Aldose- Ketose Isomerization by Lewis Acids in the Gas Phase and Aqueous Media. A Detailed Mechanistic Study
Samir H. Mushrif, Stavros Caratzoulas, Douglas J. Doren
05:15 PM
(134g) Direct Versus Hydrogen Assisted CO Dissociation On Metal Surfaces
Dominic Alfonso
