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