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Publications
Proceedings
2011 Annual Meeting
Catalysis and Reaction Engineering Division
Computational Catalysis II
2011 Annual Meeting
Session: Computational Catalysis II
Chair
Andreas Heyden
, University of South Carolina
Presentations
12:30 PM
(81a) Adsorption and Activation of n-Alkanes On a Pdo(101) Thin Film
Jose Hinojosa, Can Hakanoglu, Abbin Antony
12:50 PM
(81b) Multiscale Modeling of the Water-Gas Shift Reaction At the Three Phase Boundary of Pt/TiO2 and Pt/CeO2 Catalysts
Salai C. Ammal, Andreas Heyden
01:10 PM
(81c) Understanding of Environment-Dependent Mechanisms of Alkali Promotion In Heterogeneous Catalysis Using First-Principles Based Monte Carlo Simulation
Suljo Linic
01:30 PM
(81d) Formic Acid Decomposition On Transition Metals: Trends Through Density Functional Theory Studies
Scott D. Tonelli, Suyash Singh, James A. Dumesic, Manos Mavrikakis
01:50 PM
(81e) Selective Activation and Conversion of Simple Carboxylic Acids and Esters
Lijun Xu
02:10 PM
(81f) Hydrogenation of Lactic Acid to Propylene Glycol and Propanoic Acid: A Selectivity Challenge
Suyash Singh, Manos Mavrikakis
02:30 PM
(81g) Molecular Investigation of Catalytic Isomerization of Glucose to Fructose
Samir H. Mushrif, Stavros Caratzoulas, Stanley Sandler, Vladimiros Nikolakis, Vinit Choudhary, Nima Nikbin
