2009 Annual Meeting

Session: Computational Catalysis III: Oxides and Oxide-Supported Transition Metals

Co-Chair

Kitchin, J. R., Carnegie Mellon University

Presentations

03:15 PM

(139a) Environmental Effects On Reactivity at the RuO2(110) Surface
Wang, H.

03:36 PM

(139b) Theoretical Investigation of the Water-Gas Shift Reaction at the Three-Phase Boundary of TiO2 Supported Metal Clusters
Heyden, A., Ammal, S. C.

03:57 PM

(139c) QUANTUM MODELING of H2 and H2 O CHEMISTRY ON Pt/α-Al2O3
Synowczynski, J., Andzelm, J.

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
Govindasamy, A., Guliants, V. V.

04:39 PM

(139e) Investigation of the Catalytically Active Site in Oxidation Catalysis by Gold: Insights From First Principles
Laursen, S., Linic, S.

05:00 PM

(139f) Charging of Metal Oxide Supported Au Clusters and Its Effect On the CO Oxidation Reaction
Mpourmpakis, G.

05:21 PM

(139g) Kinetic Monte Carlo Simulation for NO Oxidation Over (√5x√5)R27° Pdo(101)
Jelic, J.