| Monday, November 5, 2007: 8:30 AM-11:00 AM | |||
| Room 151 A/B/C (Salt Palace Convention Center) | |||
Catalysis and Reaction Engineering Division (20) | |||
| #19 - Computational Catalysis I (20008) | |||
| TBA | |||
| Chair: | Suljo Linic | ||
| CoChair: | John Kitchin | ||
| CoSponsor(s): | Low Pressure (01g) Computational Molecular Science and Engineering Forum (21) | ||
| 8:30 AM | 19a | A First Principles Study of the Effects of Sulfur Adsorption on the Activity of Pt, Ni and Pt3Ni Devina Pillay, Michelle D. Johannes | |
| 8:50 AM | 19b | Adsorbate-Adsorbate Interactions On Surfaces: First Principles Studies Of Alkali Promotion In Chemical Reaction On Metal Surfaces Suljo Linic, Joydeep Mukherjee, Hongliang Xin | |
| 9:10 AM | 19c | Ab-Initio All Electron Relativistic Calculations for Co-Pt3Sn(111) System for Preferential Oxidation of Co Aslihan Sümer, A.Erhan Aksoylu | |
| 9:30 AM | 19d | A Comparative Theoretical Study Of Methanol Oxidation On Isolated Vanadate Species Supported On Silica And Titania Anthony Goodrow, Alexis T. Bell | |
| 9:50 AM | 19e | Accelerated Molecular Dynamics Simulation Of Temperature Programmed Desorption Kelly E. Becker, Kristen A. Fichthorn | |
| 10:10 AM | 19f | Mechanistic Insights On Fischer-Tropsch Synthesis Rahul P. Nabar, Anand U. Nilekar, Manos Mavrikakis, Manuel Ojeda, Akio Ishikawa, Enrique Iglesia | |
| 10:30 AM | 19g | Unique Hydrogen Configuration On TiO2(110) Upon Carboxylic Acid Dissociation N. Aaron Deskins, Marjorie Langell, Michel Dupuis, Igor Lyubinetsky, Yingge Du, Mike A. Henderson | |
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