Catalysis and Reaction Engineering Division | |||
| Session 660 - Computational Catalysis II | |||
| This is the second of two sessions devoted to all aspects of using computational techniques to understand catalytic phenomena. | |||
| Chair: | Kendall T. Thomson | ||
| CoChair: | William F. Schneider | ||
| CoSponsor(s): | Low Pressure Computational Molecular Science and Engineering Forum | ||
| 660a | Investigation of Nitric Oxide Oxidation Catalysis on Pt(111) Using Density Functional Theory Rachel B. Getman, William F. Schneider | ||
| 660b | A Dft Study of the Structure of Isolated Molybdena Species Supported on Silica and Their Activity for Methane Oxidation to Formaldehyde Shaji Chempath, Alexis T. Bell | ||
| 660c | A First Principles Analysis of the Activation of Propane over Substituted Heterpolyacids Vamsi M. Vadhri, Michael J. Janik, Matthew Neurock | ||
| 660d | A Quantum-Mechanics/Molecular-Mechanics Study of Potential Steps in Direct Propylene Epoxidation Using H2 and O2 on Au/Titanium-Silicalite-1 Catalysts Ajay M. Joshi, W. Nicholas Delgass, Kendall T. Thomson | ||
| 660e | Pseudomorphic Monolayer Catalysts for Denox Applications Jelena Jelic, Randall Meyer | ||
| 660f | Coverage Dependent Adsorption Energies of Oxygen on Ag-Pd Alloy Surfaces John Kitchin | ||
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