Energy Landscapes of Gases, Clusters, Materials and Biomolecules

Presentations

• Surface defect-mediated reactivity of TiO2(110) toward gold

  ORAL

  March 25, 2005, 5:00 AM – March 25, 2005, 5:12 AM

  Authors

  • Minghu Pan

    • Department of Physics and Astronomy, The University of Tennessee

  • Ken Park

    • Department of Physics, Baylor University

  • Vincent Meunier

  • William Shelton

    • Computer Science and Mathematics Division, Oak Ridge National Laboratory

  • Sergei Kalinin

  • Arthur Baddorf

    • Condensed Matter Sciences Division, Oak Ridge National Laboratory

  • E.W. Plummer

    • Department of Physics and Astronomy, The University of Tennessee

  View abstract →

• Dependence of direct-current-induced Si(111) Step Bunching on Initial Surface Miscut: Experiments and Simulations

  ORAL

  March 25, 2005, 5:12 AM – March 25, 2005, 5:24 AM

  Authors

  • Brian Gibbons

    • The Ohio State University

  • Sylvia Schaepe

  • Jonathan Pelz

  View abstract →

• Electron Counting Rules For The Stability Of Metal-Encapsulated Sin Cages

  ORAL

  March 25, 2005, 5:24 AM – March 25, 2005, 5:36 AM

  Authors

  • Anil Kandalam

    • Virginia Commonwealth University

  • Qian Wang

  • S. N. Khanna

  • Puru Jena

    • Virginia Commonwealth University

  View abstract →

• Magnetic Dynamics of Cobalt Nanoparticle Dispersions

  ORAL

  March 25, 2005, 5:36 AM – March 25, 2005, 5:48 AM

  Authors

  • Sue Inderhees

    • University of Michigan

  View abstract →

• Ordering of CN species on copper (001)

  ORAL

  March 25, 2005, 5:48 AM – March 25, 2005, 6:00 AM

  Authors

  • B.J. Hinch

  • E.Z. Ciftlikli

  • I.G. Shuttleworth

  • S.E. Sysoev

  • A. V. Ermakov

  View abstract →

• Decoupling the Effect of Pseudomorphic Strain and Electron Confinement on Catalytic Properties of Supported Metal Films

  ORAL

  March 25, 2005, 6:00 AM – March 25, 2005, 6:12 AM

  Authors

  • Raj Ganesh Pala

  • Feng Liu

    • Univesity of Utah
    • Department of Material Science and Engineering, University of Utah, Salt Lake City, UT 84112
    • Univesity of utah
    • University of Utah

  View abstract →

• Binding of Fe and S atoms to corannulene: A Theoretical Study

  ORAL

  March 25, 2005, 6:12 AM – March 25, 2005, 6:24 AM

  Authors

  • Anil Kandalam

    • Virginia Commonwealth University

  • Bijan Rao

  • Puru Jena

    • Virginia Commonwealth University
    • Virgina Commonwealth University

  View abstract →

• On the superhalogen character of Al13 in Al13I-

  ORAL

  March 25, 2005, 6:24 AM – March 25, 2005, 6:36 AM

  Authors

  • N.O. Jones

  • T. Morisato

  • S.N. Khanna

    • Department of Physics, Virginia Commonwealth University, Richmond, VA 23284

  • D.E. Bergeron

  • A.W. Castleman

    • Departments of Chemistry and Physics, The Pennsylvania State University, University Park, PA 16802

  View abstract →

• Geometry and Electronic Structure of Nickel Benzene Complexes

  ORAL

  March 25, 2005, 6:36 AM – March 25, 2005, 6:48 AM

  Authors

  • A. K. Kandalam

  • S. N. Khanna

  • Puru Jena

    • Virginia Commonwealth University

  View abstract →

• First Principles Study of Electronic Structure of BF3-NH3 Complex and Associated Properties

  ORAL

  March 25, 2005, 6:48 AM – March 25, 2005, 7:00 AM

  Authors

  • Archana Dubey

  • Lee Chow

    • Dept. of Physics, Univ. of Central Florida, Orlando

  • Mahendra K. Mahanti

    • North Eastern Hill University, Shillong, India

  • Roger Pink

  • M. B. Huang

  • R. H. Scheicher (*)

  • T. P. Das (**)

    • Dept. of Physics, SUNY at Albany, NY

  View abstract →

• Accurate global potential energy surfaces and ro-vibrational states of triatomic molecules

  ORAL

  March 25, 2005, 7:00 AM – March 25, 2005, 7:12 AM

  Authors

  • Ant\'{o}nio Varandas

    • Departamento de Qu\'imica, Universidade de Coimbra, 3004-535 Coimbra, Portugal

  View abstract →

• Ab Initio Study of the Use of Ag2- for Catalytic Oxidation of CO.

  ORAL

  March 25, 2005, 7:12 AM – March 25, 2005, 7:24 AM

  Authors

  • Pratik Dholabhai

  • Xueyuan Wu

  • A. K. Ray

    • Physics Department, The University of Texas at Arlington, 76019
    • Department of Physics, University of Texas at Arlington, Arlington, Texas 76019
    • The University of Texas at Arlington
    • Physics Department, The University of Texas at Arlington,76019

  View abstract →

• Dual reactivity of iron-oxide clusters: self-stimulated CO oxidation as well as NO reduction

  ORAL

  March 25, 2005, 7:24 AM – March 25, 2005, 7:36 AM

  Authors

  • Y. Matsuda

  • E.R. Bernstein

    • Department of Chemistry, Colorado State University, Fort Collins, CO 80523

  • B.V. Reddy

  • F. Rasouli

    • Philip Morris USA Research Center, 4201 Commerce Road, Richmond, VA 23234

  • S.N. Khanna

    • Physics Department, Virginia Commonwealth University, Richmond, VA 23284-2000

  View abstract →

• Semiclassical Scattering on Conical Intersections

  ORAL

  March 25, 2005, 7:36 AM – March 25, 2005, 7:48 AM

  Authors

  • Andrei Piryantinski

    • Theoretical Division, Center for Nonlinear Studies, Los Alamos National Laboratory

  • Misha Stepanov

  • Sergei Tretiak

  • Vladimir Chernyak

    • Department of Chemistry, Wayne State University

  View abstract →