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Publications
Proceedings
2012 AIChE Annual Meeting
Catalysis and Reaction Engineering Division
Computational Catalysis I
2012 AIChE Annual Meeting
Session: Computational Catalysis I
Chair
Mhadeshwar, A. B.
, University of Connecticut
Co-Chair
Linic, S.
, University of Michigan-Ann Arbor
Presentations
12:30 PM
(81a) Theoretical Investigation of the H2 Oxidation On the Sr2Fe1.5Mo0.5O6-d (001) Perovskite Structure Under Anodic Solid Oxide Fuel Cell Conditions
12:50 PM
(81b) DFT Studies On Adsorption, Diffusion, and Clustering of Cu and Au On the Non-Polar ZnO(10-10) Surface
01:10 PM
(81c) Mechanistic Analysis of the Selective Hydrogenation of Acetylene and Crotonaldehyde Over NiZn
01:30 PM
(81d) Computational Modeling of Reconstruction Templated Adsorption On the Magnetite(001) Surface
01:50 PM
(81e) Poisoning Mechanisms of MgO-Supported Au Clusters in CO Oxidation
02:10 PM
(81f) Quantum Dynamical Modeling of CO2 Reduction Using Heterogenous Photocatalysis
02:30 PM
(81g) Mechanistic Study of CO Oxidation On Supported Gold Nanoparticles: How Nanoparticle Restructuring Impacts Reaction Energetics
