Session B25: Focus Session: Computational Nanoscience II

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Sponsoring Units: DMP DCOMP DAMOP
Chair: Talat S. Rahman, Kansas State University
LACC - 501A


Monday, March 21, 2005
11:15AM - 11:51AM

B25.00001: Magic structures of binary metallic clusters
Invited Speaker: Riccardo Ferrando

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Monday, March 21, 2005
11:51AM - 12:03PM

B25.00002: Density functional study of structural properties of bimetallic Pt-Ni nanoparticles
Luis A. Perez , Karo Michaelian , Ignacio L. Garzon

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Monday, March 21, 2005
12:03PM - 12:15PM

B25.00003: Origin of electric dipole moments in free niobium clusters
Kristopher Andersen , Vijay Kumar , Yoshiyuki Kawazoe , Warren Pickett

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Monday, March 21, 2005
12:15PM - 12:27PM

B25.00004: Saturation effects in silver-particle aggregates due to nonliearity
A. Buin , P. DeChatel , H. Nakotte , V. Drachev2 , V. Shalaev

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Monday, March 21, 2005
12:27PM - 12:39PM

B25.00005: Size Dependence of the Static Polarizabilities and Absorption Spectra of Ag clusters
Serdar Ogut , Juan C. Idrobo , Julius Jellinek

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Monday, March 21, 2005
12:39PM - 12:51PM

B25.00006: Metastability of a gold nano ring
Qian Wang , Qiang Sun , Puru Jena

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Monday, March 21, 2005
12:51PM - 1:03PM

B25.00007: Single-walled (5,3) gold nanotube-a theoretical study
Chih-Kai Yang

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Monday, March 21, 2005
1:03PM - 1:15PM

B25.00008: First-principles study of structure and energetics of supported Ru/Pt clusters on C(0001) and BN(0001) surfaces
Lin-Lin Wang , Duane D. Johnson

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Monday, March 21, 2005
1:15PM - 1:27PM

B25.00009: Computational Study of Atomistic Strain Relaxation Mechanisms in Biaxially Strained Ultra-Thin Metallic Films
M. Rauf Gungor , Dimitrios Maroudas

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Monday, March 21, 2005
1:27PM - 1:39PM

B25.00010: Comparative study of CO adsorption on nanostructured Cu and Au surfaces
Faisal Mehmood , Abdelkader Kara , Talat S. Rahman , Claude R. Henry

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Monday, March 21, 2005
1:39PM - 1:51PM

B25.00011: Interaction of O$_2$ with Silver Cluster Cations
Seung Bum Suh , Bokwon Yoon , Uzi Landman

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Monday, March 21, 2005
1:51PM - 2:03PM

B25.00012: A DFT study of the effects of preparation conditions on the reactivity of Pt/$\alpha$-alumina catalysts
Valentino R. Cooper , Andrew M. Rappe

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Monday, March 21, 2005
2:03PM - 2:15PM

B25.00013: First-principles study of ammonia synthesis on a supported iron nanocluster
Zeljko Sljivancanin , Alfredo Pasquarello

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B25.00014: Structure, Bonding, and Dynamics of Thiolates on Copper and Gold Clusters and Surfaces
Martin Konopka , Roger Rousseau , Ivan Stich , Dominik Marx

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