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Publications
Proceedings
2007 Annual Meeting
Catalysis and Reaction Engineering Division
Computational Catalysis I
2007 Annual Meeting
Session: Computational Catalysis I
Chair
Suljo Linic
, University of Michigan-Ann Arbor
Co-Chair
John Kitchin
, Carnegie Mellon University
Presentations
08:30 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
08:50 AM
(19b) Adsorbate-Adsorbate Interactions On Surfaces: First Principles Studies Of Alkali Promotion In Chemical Reaction On Metal Surfaces
Suljo Linic, Joydeep Mukherjee
09:10 AM
(19c) Ab-Initio All Electron Relativistic Calculations for Co-Pt3Sn(111) System for Preferential Oxidation of Co
Aslihan Sümer
09:30 AM
(19d) A Comparative Theoretical Study Of Methanol Oxidation On Isolated Vanadate Species Supported On Silica And Titania
Anthony Goodrow, Alexis T. Bell
09:50 AM
(19e) Accelerated Molecular Dynamics Simulation Of Temperature Programmed Desorption
Kelly E. Becker
10:10 AM
(19f) Mechanistic Insights On Fischer-Tropsch Synthesis
Rahul P. Nabar, Anand U. Nilekar, Manos Mavrikakis, Enrique Iglesia, Manuel Ojeda, Akio Ishikawa
10:30 AM
(19g) Unique Hydrogen Configuration On TiO2(110) Upon Carboxylic Acid Dissociation
N. Aaron Deskins, Marjorie Langell, Igor Lyubinetsky, Yingge Du, Mike A. Henderson, Michel Dupuis
