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Proceedings
2009 Annual Meeting
Catalysis and Reaction Engineering Division
Computational Catalysis III: Oxides and Oxide-Supported Transition Metals
2009 Annual Meeting
Session: Computational Catalysis III: Oxides and Oxide-Supported Transition Metals
Co-Chair
John R. Kitchin
, Carnegie Mellon University
Presentations
03:15 PM
(139a) Environmental Effects On Reactivity at the RuO2(110) Surface
Hangyao Wang
03:36 PM
(139b) Theoretical Investigation of the Water-Gas Shift Reaction at the Three-Phase Boundary of TiO2 Supported Metal Clusters
Andreas Heyden, Salai C. Ammal
03:57 PM
(139c) QUANTUM MODELING of H2 and H2 O CHEMISTRY ON Pt/α-Al2O3
Jennifer Synowczynski, Jan Andzelm
04:18 PM
(139d) Theoretical Study of Propane Activation Over Cluster Models of the Surface Ab Planes of Mo-V-Te-Nb-O M1 Phase
Agalya Govindasamy, Vadim V. Guliants
04:39 PM
(139e) Investigation of the Catalytically Active Site in Oxidation Catalysis by Gold: Insights From First Principles
Siris Laursen, Suljo Linic
05:00 PM
(139f) Charging of Metal Oxide Supported Au Clusters and Its Effect On the CO Oxidation Reaction
Giannis Mpourmpakis
05:21 PM
(139g) Kinetic Monte Carlo Simulation for NO Oxidation Over (√5x√5)R27° Pdo(101)
Jelena Jelic
