Bulletin of the American Physical Society

2006 APS March Meeting

Monday–Friday, March 13–17, 2006; Baltimore, MD

Session Index

Session K10: Focus Session: Frontiers in Computational Chemical Physics II	Show Abstracts
Sponsoring Units: DCP Chair: Rigoberto Hernandez, Georgia Tech Room: Baltimore Convention Center 302

Tuesday, March 14, 2006 2:30PM - 3:06PM		K10.00001: First-principles statistical mechanics for heterogeneous catalysis Invited Speaker: Preview Abstract
Tuesday, March 14, 2006 3:06PM - 3:18PM		K10.00002: Kinetics and equilibrium properties of supercooled salt solutions in contact with ice and water vapor Marcelo Carignano, Paul Shepson, Igal Szleifer Preview Abstract
Tuesday, March 14, 2006 3:18PM - 3:30PM		K10.00003: Thermodynamic and Kinetic differences between solid superheating and liquid supercooling Xian-Ming Bai, Mo Li Preview Abstract
Tuesday, March 14, 2006 3:30PM - 3:42PM		K10.00004: Why does 5-mthyl-2-pyrimidinone fluoresce? An ab initio study of the photophysics of a fluorescent DNA pyrimidine analog. Kurt Kistler, Spiridoula Matsika Preview Abstract
Tuesday, March 14, 2006 3:42PM - 3:54PM		K10.00005: Interactions between nanoparticles in supercritical fluids Sergei Egorov Preview Abstract
Tuesday, March 14, 2006 3:54PM - 4:06PM		K10.00006: Effects of co-adsorbed C and K on energetics of CO oxidation on Pd(111) Faisal Mehmood, Sergey Stolbov, Talat S. Rahman Preview Abstract
Tuesday, March 14, 2006 4:06PM - 4:18PM		K10.00007: Parallel Temperature-Accelerated Dynamics Simulations of Epitaxial Growth Y. Shim, J. G. Amar, B. P. Uberuaga, A. F. Voter Preview Abstract
Tuesday, March 14, 2006 4:18PM - 4:30PM		K10.00008: Hydration and Dewetting near Fluorinated Superhydrophobic Plates Ruhong Zhou, Xin Li, Jingyuan Li, Maria Eleftheriou Preview Abstract
Tuesday, March 14, 2006 4:30PM - 4:42PM		K10.00009: Metastable States and Population Dynamics in the Linkage Isomer Compound Sodium-nitro-prusside Bernard Delley, J\"urg Schefer, Dominik Schaniel, Theo Woike Preview Abstract
Tuesday, March 14, 2006 4:42PM - 4:54PM		K10.00010: Effect of the substrate-adsorbate coupling on the dispersion of phonons of CO on Cu(001). Talat S. Rahman, Klaus Peter Bohnen, Marisol Alcantara Ortigoza Preview Abstract
Tuesday, March 14, 2006 4:54PM - 5:06PM		K10.00011: Theory of Electronic Structure and Nuclear Quadrupole Interactions in the BF3-NH3 Complex R.H. Pink, Dip N. Mahato, M.B. Huang, T.P. Das, Archana Dubey, Lee Chow, Mahendra K. Mahanti, R.H. Scheicher Preview Abstract
Tuesday, March 14, 2006 5:06PM - 5:18PM		K10.00012: Theory of Nuclear Quadrupole Interaction in Trifluoro-Aminoboranes [BF$_{3}$-NH$_{3-X}$(CH$_{3})_{X}$] Mahendra K. Mahanti, Archana Dubey, H.P. Saha, Lee Chow, R.H. Scheicher, R.H. Pink, Dip N. Mahato, M.B. Huang, T.P. Das Preview Abstract
Tuesday, March 14, 2006 5:18PM - 5:30PM		K10.00013: Electron Distribution in Solid BF$_{3}$ and BF$_{3}$ -- NH$_{3}$ -- Associated Nuclear Quadrupole Interactions Dip N. Mahato, R.H. Pink, M.B. Huang, T.P. Das, Archana Dubey, Lee Chow, Mahendra K. Mahanti, R.H. Scheicher Preview Abstract

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Bulletin of the American Physical Society

2006 APS March Meeting

Monday–Friday, March 13–17, 2006; Baltimore, MD

Session Index

Session K10: Focus Session: Frontiers in Computational Chemical Physics II

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