Condensed Phase Dynamics, Structure and Thermodynamics

Presentations

• First-principles study of molecular point defects in ice Ih

  ORAL

  March 7, 2007, 9:15 AM – March 7, 2007, 9:27 AM

  Authors

  • Maurice de Koning

  • Alex Antonelli

    • Universidade Estadual de Campinas

  • Antonio J.R. da Silva

  • Adalberto Fazzio

    • Universidade de Sao Paulo

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• Size- and Temperature- Dependent Crystal Growth Rates

  ORAL

  March 7, 2007, 9:27 AM – March 7, 2007, 9:39 AM

  Authors

  • Xian-Ming Bai

    • Georgia Institute of Technology
    • School of Materials Science and Engineering, Georgia Institute of Technology

  • Mo Li

    • Georgia Institute of Technology

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• ESR Studies of a Reorienting Nickel Complex

  ORAL

  March 7, 2007, 9:39 AM – March 7, 2007, 9:51 AM

  Authors

  • Bruce Kowert

    • St. Louis University

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• Low coverage Neon adsorption on HiPCo$^{TM}$ nanotube bundles

  ORAL

  March 7, 2007, 9:51 AM – March 7, 2007, 10:03 AM

  Authors

  • Subramanian Ramachandran

    • University of Washington, Dept of Physics, Seattle

  • Oscar Vilches

    • University of Washington, Dept of Physics, Seattle

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• Structure and dynamics of levitated liquid aluminates

  ORAL

  March 7, 2007, 10:03 AM – March 7, 2007, 10:15 AM

  Authors

  • Louis Hennet

    • CRMHT, 1d avenue de la Recherche Scientifique, 45071 Orl\'eans, France

  • Irina Pozdnyakova

    • CRMHT, 1d avenue de la Recherche Scientifique, 45071 Orl\'eans, France

  • Marie-Louise Saboungi

    • CRMD-CNRS, 1B rue de la Ferollerie, Orleans 45071, France
    • CNRS
    • CRMD, 1b rue de la F\'erollerie, 45071 Orl\'eans, France

  • David L. Price

    • CRMHT, 1d avenue de la Recherche Scientifique, 45071 Orl\'eans, France

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• Thermal Fluctuations and Excitonic Interactions in Polyadenosine

  ORAL

  March 7, 2007, 10:15 AM – March 7, 2007, 10:27 AM

  Authors

  • John Jean

    • Regis University

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• The activation of phosphoramide mustard anticancer drugs from ab initio simulations.

  ORAL

  March 7, 2007, 10:27 AM – March 7, 2007, 10:39 AM

  Authors

  • Markus Allesch

    • Graz University of Technology, Austria, and Lawrence Livermore National Laboratory

  • Eric Schwegler

    • Lawrence Livermore National Laboratory
    • Lawrence Livermore National Lab
    • LLNL, Livermore, CA

  • Mike Colvin

    • University of California, Merced

  • Francois Gygi

    • Lawrence Livermore National Laboratory and University of California, Davis

  • Giulia Galli

    • Lawrence Livermore National Laboratory and University of California, Davis

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• Use of light scattering data to determine free energies of ternary mixtures

  ORAL

  March 7, 2007, 10:39 AM – March 7, 2007, 10:51 AM

  Authors

  • George Thurston

    • Rochester Institute of Technology

  • David Ross

    • Rochester Institute of Technology

  • Carl Lutzer

    • Rochester Institute of Technology

  • Seth Fraden

    • Brandeis University

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• Proton momentum distributions in water: A path integral molecular dynamics study

  ORAL

  March 7, 2007, 10:51 AM – March 7, 2007, 11:03 AM

  Authors

  • Varadharajan Srinivasan

    • Dept. of Chemistry, Princeton University, Washington Road, NJ 08544

  • Joseph A. Morrone

    • Dept. of Chemistry, Princeton University, Washington Road, NJ 08544

  • Daniel Sebastiani

    • Dept. of Spectroscopy, Max-Planck-Institut fuer Polymerforschung

  • Roberto Car

    • Dept. of Chemistry/ PRISM, Princeton University
    • Princeton University

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• Calculation of Proton Transfer Rates in Liquids Using Molecular Dynamics Simulations

  ORAL

  March 7, 2007, 11:03 AM – March 7, 2007, 11:15 AM

  Authors

  • Yin Guo

    • Department of Physics, Oklahoma State University

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• Local structure and the intermediate-energy fine structure in x-ray Raman scattering from ice Ih

  ORAL

  March 7, 2007, 11:15 AM – March 7, 2007, 11:27 AM

  Authors

  • G.T. Seidler

    • University of Washington

  • T.T. Fister

    • University of Washington

  • C. Hamner

    • University of Washington

  • F.D. Vila

    • University of Washington

  • J.O. Cross

    • Advanced Photon Source, Argonne National Laboratory

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• Covalency in Actinide and Lanthanide Hexachloride Anions

  ORAL

  March 7, 2007, 11:27 AM – March 7, 2007, 11:39 AM

  Authors

  • Ping Yang

    • Los Alamos National Laboratory

  • Enrique Batista

    • Los Alamos National Laboratory

  • Richard Martin

    • Los Alamos National Laboratory

  • Christin Carlson

    • Seaborg Institute, Los Alamos National Laboratory

  • David Clark

    • Seaborg Institute, Los Alamos National Laboratory

  • Steven Conradson

    • Seaborg Institute, Los Alamos National Laboratory

  • Daniel Schwarz

    • Seaborg Institute, Los Alamos National Laboratory

  • Marinne Wilkerson

    • Seaborg Institute, Los Alamos National Laboratory

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• Site Sensitivity and local electronic symmetries in carboranes

  ORAL

  March 7, 2007, 11:39 AM – March 7, 2007, 11:51 AM

  Authors

  • T.T. Fister

    • University of Washington

  • G.T. Seidler

    • University of Washington

  • F.D. Vila

    • University of Washington

  • J.O. Cross

    • Advanced Photon Source, Argonne National Laboratory

  • J.C. Linehan

    • Pacific Northwest National Laboratory

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• The electronic structure of Co and Ni tetraazaannulenes

  ORAL

  March 7, 2007, 11:51 AM – March 7, 2007, 12:03 PM

  Authors

  • Jing Liu

    • Department of Physics and Astronomy, University of Nebraska-Lincoln

  • Jie Xiao

    • Department of Physics and Astronomy, University of Nebraska-Lincoln

  • P. Jeppson

    • Department of Physics and Astronomy, University of Nebraska-Lincoln

  • P.A. Dowben

    • Department of Physics and Astronomy, University of Nebraska-Lincoln

  • Seok-Bong Choi

    • Center for Nanoscale Science and Engineering, North Dakota State University

  • Tony Caruso

    • Center for Nanoscale Science and Engineering, North Dakota State University
    • Center for Nanoscale Science and Engineering
    • North Dakota State University
    • CNSE

  • Tony Caruso

    • Center for Nanoscale Science and Engineering, North Dakota State University
    • Center for Nanoscale Science and Engineering
    • North Dakota State University
    • CNSE

  • Yaroslav Losovyj

    • Center for Advanced Microstructures and Devices, Louisiana State University
    • Louisiana State University

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• Pump-Probe Photoionization Spectroscopy of penta methyl cyclopentadiene

  ORAL

  March 7, 2007, 12:03 PM – March 7, 2007, 12:15 PM

  Authors

  • Peter Weber

    • Brown University

  • Fedor Rudakov

    • Brown University

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