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Proceedings
2012 AIChE Annual Meeting
Catalysis and Reaction Engineering Division
Computational Catalysis IV
2012 AIChE Annual Meeting
Session: Computational Catalysis IV
Co-Chair
Andreas Heyden
, University of South Carolina
Presentations
03:15 PM
(330a) A Systematic Ab Initio Strategy for Predicting Structure-Activity Relationships of Catalysts On Amorphous Supports
Baron Peters
03:35 PM
(330b) Initial Pathways to O Vacancy Formation On Pdo(101)
03:55 PM
(330c) Newly Proposed Catalytic Route for the Production of Propylene Epoxide
Thomas A. Manz
04:15 PM
(330d) A DFT+U Investigation of Propene Oxidation Over Bismuth Molybdate
Vladimir Shapovalov
04:35 PM
(330e) Developing Relationships for the Lewis-Catalyzed Alcohol Dehydration On Alumina
04:55 PM
(330f) Theoretical Investigation of the Water-Gas Shift Reaction At the Three-Phase Boundary of Ceria (111) Supported Platinum Clusters
05:15 PM
(330g) A First-Principles Study On Carbon Dioxide Reforming of Methane Over Supported Pt Catalysts
Zhuo Cheng, Cynthia S. Lo, Nathan A. Fine, Brent Sherman, Vesna Havran
