Session X35: Energy Landscapes of Gases, Clusters, Materials and Biomolecules

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Sponsoring Units: DCP
Chair: B. J. Hinch, Rutgers
LACC - Room 511B


Friday, March 25, 2005
8:00AM - 8:12AM

X35.00001: Surface defect-mediated reactivity of TiO2(110) toward gold
Minghu Pan , Ken Park , Vincent Meunier , William Shelton , Sergei Kalinin , Arthur Baddorf , E.W. Plummer

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Friday, March 25, 2005
8:12AM - 8:24AM

X35.00002: Dependence of direct-current-induced Si(111) Step Bunching on Initial Surface Miscut: Experiments and Simulations
Brian Gibbons , Sylvia Schaepe , Jonathan Pelz

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Friday, March 25, 2005
8:24AM - 8:36AM

X35.00003: Electron Counting Rules For The Stability Of Metal-Encapsulated Sin Cages
Anil Kandalam , Qian Wang , S. N. Khanna , Puru Jena

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Friday, March 25, 2005
8:36AM - 8:48AM

X35.00004: Magnetic Dynamics of Cobalt Nanoparticle Dispersions
Sue Inderhees

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Friday, March 25, 2005
8:48AM - 9:00AM

X35.00005: Ordering of CN species on copper (001)
B.J. Hinch , E.Z. Ciftlikli , I.G. Shuttleworth , S.E. Sysoev , A. V. Ermakov

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Friday, March 25, 2005
9:00AM - 9:12AM

X35.00006: Decoupling the Effect of Pseudomorphic Strain and Electron Confinement on Catalytic Properties of Supported Metal Films
Raj Ganesh Pala , Feng Liu

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Friday, March 25, 2005
9:12AM - 9:24AM

X35.00007: Binding of Fe and S atoms to corannulene: A Theoretical Study
Anil Kumar Kandalam , Bijan Rao , Purusottam Jena

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Friday, March 25, 2005
9:24AM - 9:36AM

X35.00008: On the superhalogen character of Al13 in Al13I-
N.O. Jones , T. Morisato , S.N. Khanna , D.E. Bergeron , A.W. Castleman

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Friday, March 25, 2005
9:36AM - 9:48AM

X35.00009: Geometry and Electronic Structure of Nickel Benzene Complexes
A. K. Kandalam , S. N. Khanna , Puru Jena

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Friday, March 25, 2005
9:48AM - 10:00AM

X35.00010: First Principles Study of Electronic Structure of BF3-NH3 Complex and Associated Properties
Archana Dubey , Lee Chow , Mahendra K. Mahanti , Roger Pink , M. B. Huang , R. H. Scheicher (*) , T. P. Das (**)

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Friday, March 25, 2005
10:00AM - 10:12AM

X35.00011: Accurate global potential energy surfaces and ro-vibrational states of triatomic molecules
Ant\'{o}nio Varandas

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Friday, March 25, 2005
10:12AM - 10:24AM

X35.00012: Ab Initio Study of the Use of Ag2- for Catalytic Oxidation of CO.
Pratik Dholabhai , Xueyuan Wu , Asok Ray

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Friday, March 25, 2005
10:24AM - 10:36AM

X35.00013: Dual reactivity of iron-oxide clusters: self-stimulated CO oxidation as well as NO reduction
Y. Matsuda , E.R. Bernstein , B.V. Reddy , F. Rasouli , S.N. Khanna

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Friday, March 25, 2005
10:36AM - 10:48AM

X35.00014: Semiclassical Scattering on Conical Intersections
Andrei Piryatinski , Misha Stepanov , Sergei Tretiak , Vladimir Chernyak

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