Monday, February 27, 2012
8:00AM - 8:36AM
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A6.00001: Application of vdW-DF Methods to Hydrogen Adsorptions and an Organic Ferroelectric
Invited Speaker:
Kyuho Lee
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Monday, February 27, 2012
8:36AM - 8:48AM
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A6.00002: Structure and Energetics of Benzene Adsorbed on Transition-Metal Surfaces: Density-Functional Theory with Screened van der Waals Interactions
Wei Liu, Victor G. Ruiz-L\'{o}pez, Guo-xu Zhang, Xinguo Ren, Matthias Scheffler, Alexandre Tkatchenko
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Monday, February 27, 2012
8:48AM - 9:00AM
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A6.00003: Physisorption of three amine terminated molecules (TMBDA, BDA, TFBDA) on the Au(111) Surface: The Role of van der Waals Interaction
Maral Aminpour, Duy Le, Talat S. Rahman
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Monday, February 27, 2012
9:00AM - 9:12AM
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A6.00004: Effect of physisorbed molecules and an external external fields on the metallic Shockley surface state of Cu(111): A density functional theory study
Kristian Berland, T.L. Einstein, Per Hyldgaard
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Monday, February 27, 2012
9:12AM - 9:24AM
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A6.00005: Computational Study of Supramolecular Self-Assembly Using CH/$\pi$ Bonds
C. Han, Q. Li, S. Horton, M. Fuentes-Cabrera, B. Sumpter, W. Lu, J. Bernholc, P. Maksymovych, M. Pan
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Monday, February 27, 2012
9:24AM - 9:36AM
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A6.00006: Noble Gases on Metal Surfaces: New Insights on Adsorption Site Preference
De-Li Chen, Wissam Al-Saidi, Karl Johnson
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Monday, February 27, 2012
9:36AM - 9:48AM
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A6.00007: Adsorption of polyvinylpyrrolidone on Ag surfaces: Insight into the workings of a structure-directing agent
Wissam Al-Saidi, Haijun Feng, Kristen Fichthorn
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Monday, February 27, 2012
9:48AM - 10:00AM
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A6.00008: Adsorption of halogenated molecule on stepped metallic surfaces: the role of van der Waals interactions
Rengin Pekoz, Karen Johnston, Davide Donadio
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Monday, February 27, 2012
10:00AM - 10:12AM
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A6.00009: The Nature of Binding in the Phenalenyl Dimer and its Derivatives
Brian Kolb, Timo Thonhauser, Miklos Kertesz
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Monday, February 27, 2012
10:12AM - 10:24AM
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A6.00010: Binding nature of adenine and C60 on graphene: a van der Waals density functional analysis
Per Hyldgaard, Kristian Berland, Valentino Cooper, Anders Bergvall, Sergey Kubatkin, Tomas L\"ofwander, Elsebeth Schr\"oder
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