AVS 51st International Symposium
    Surface Science Monday Sessions

Session SS1-MoA
Simulation and Theory of Adsorption

Monday, November 15, 2004, 2:00 pm, Room 210B
Moderator: S.B. Sinnott, University of Florida


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Click a paper to see the details. Presenters are shown in bold type.

2:00pm SS1-MoA1 Invited Paper
Theoretical Insights into Chemistry and Catalysis at the Aqueous Metal Interface
M. Neurock, University of Virginia
2:40pm SS1-MoA3
Atomistic Modeling of CO Oxidation on Pd(100): Ordering of the Reactant Adlayer, Bistability of Steady States, and TPR
D.-J. Liu, J.W. Evans, Iowa State University
3:00pm SS1-MoA4
CO Coupling Reaction on UO@sub2@(111)Single Crystal Surface: An Experimental and Theoretical Study
H. Idriss, S.D. Senanayake, A.S.L. Soon, The University of Auckland, New Zealand
3:20pm SS1-MoA5
Towards an Understanding of the Silver Catalysed Ethylene Epoxidation Process
A. Michaelides, University of Cambridge, United Kingdom, K. Reuter, M. Scheffler, Fritz-Haber-Institut der Max-Planck Gesellschaft, Germany
3:40pm SS1-MoA6
Determination of Adsorption Site for Isocyanides and Aminocarbynes on Pt(111) from Theoretical and Experimental Vibrational Spectra
E. Herceg, B. Chatterjee, M. Trenary, University of Illinois at Chicago
4:00pm SS1-MoA7
Ab Initio Molecular Dynamics Study of Methanol Adsorption and Reaction on Copper Clusters
W.-D. Hsu, S.B. Sinnott, University of Florida
4:40pm SS1-MoA9
Furan Decomposition Mechanism on Vicinal Pd(111) Studied by STM and DFT@footnote 1@
A. Loui, C.Y. Fong, S. Chiang, University of California, Davis