Manhattan Poster Project: Posters

The Poster Session is the most important part of the Manhattan Poster Project, and will take the whole afternoon. All participants are strongly encouraged to present a poster about their research. Currently the following posters have been submitted:

  1. Franz M. Geiger and Janice M. Hicks (Georgetown University)

    Surface Chemistry of Polar Stratospheric Cloud Particles.

  2. Teresa Petralli-Meallow and Janice M. Hicks (Georgetown University)

    Second Harmonic Generation-Circular Dichroism: Cytochrome C at Membrane Mimetic Surfaces

  3. Shubin Liu and Robert G. Parr (University of North Carolina at Chapel Hill)

    Development of New Correlation Energy Functionals in Density Functional Theory.

  4. Emily L. Wilson, Mark C. Wall and Amy S. Mullin (Boston University)

    Long Range Vibrational Excitation of CO2(001,020,100) thru Collisions with Highly Vibrationally Excited Pyrazine (Evib=37,900cm-1).
  5. Sharmila V. Pai, Cary F. Chabalowski and Betsy M. Rice (Army Research Laboratory)

    Theoretical Determination of the Potential Hazards in the Handling of Aged Munitions.
  6. Rama K. Kondru and David N. Beratan (University of Pittsburgh)

    Theory and Calculation of Optical Activity for Organic Molecules.
  7. Edward W. Oliver and Dennis H. Evans (University of Delaware)

    Determination of Reversible Reduction Potentials and Anion Radical Lifetimes for Hexaarylbiimidazole Derivatives.
  8. Artem Masunov and J. J. Dannenberg (City University of New York)

    Molecular Orbital Study of Cooperative Effects in Urea Clusters.
  9. Barry D. Self and Dexter Moore (Howard University)

    Vibrational Circular Dichroism of Nucleic Acids: A DeVoe Theory Approach.
  10. Dexter S. Moore and Joseph O. Anderson (Howard University)

    Computational Analysis of Structures of Poplypeptides via Vibrational Circular Dichroism.
  11. Scot Mente and Mark Maroncelli (Pennsylvania State University)

    Monte Carlo Computer Simulations of Proton Transfer Reactions.
  12. J.G. Kushmerick, J.H. Ferris, J.A. Johnson, P.S. Weiss
    (Pennsylvania State University)

    The Dynamics of Benzene Adsorption on Ni{110} at 4K.
  13. R. E. Tosh, A. K. Shukla and J. H. Futrell (University of Delaware)

    Collisional Excitation of Symmetric Triatomic Ions.
  14. E.N. Nikolaev, V.S. Rakov, R.E. Tosh, A.K. Shukla and J.H.Futrell

    Fourier Transform Ion Velocity Mass Spectrometer.
  15. Andrew Foraker and Douglas Doren (University of Delaware)

    Desorption of Hydrogen from Silicon (211).
  16. Steven J. Stuart and B. J. Berne (U.S. Naval Academy)

    Surface Effects in the Aqueous Solvation of the Chloride Ion.
  17. P. V. Poliakov and B. R. Arnold (University of Maryland Baltimore County)

    Elucidation of Macromolecular Properties with Fluorescence Anisotropy Measurements.
  18. Anita Robinson Brown and Douglas Doren (University of Delaware)

    First Principles Theory of Adsorption of HOCl on Ice Ih.
  19. Admassu Regassa and Miklos Kertesz (Georgetown University)

    Geometric and Electronic Structure of Conjugated Conducting Polymers.
  20. J.A. Taraszka and R.G. Weiss (Georgetown University)

    Diffusion of N,N-di-n-octadecylaniline in Low Density Polyethylene Films.
  21. H.S. Mei, J.P. Ryckaert and D.F. Coker (University of Pennsylvania)

    Nonadiabatic reactive flux methods: the influence of solvent friction
  22. Rebecca L. Schwartz, Leanna C. Giancarlo, R. Timothy Bonn, Richard A. Loomis, and Marsha I. Lester (University of Pennsylvania)

    Intermolecular Vibrations and Relaxation Dynamics of OH-N2 Complexes.
  23. Michael W. Todd, Rebecca L. Schwartz, Marsha I. Lester (University of Pennsylvania)

    IR-UV Fluorescence Depletion Studies of Ar-OH X2PI (v=2).
  24. R. Timothy Bonn and Marsha I. Lester (University of Pennsylvania)

    Spectroscopy and Dynamics of OH-CO Entrance Channel Complexes.
  25. August Calhoun and Gregory A. Voth (University of Pennsylvania)

    Electron Transfer Across the Electrode/Electrolyte Interface:
    Influence of Redox Ion Mobility, Counterions, Multiple Redox Ions, and Surface Electronic States.
  26. Anita Robinson Brown and Douglas Doren (University of Delaware)

    First Principles Theory of Dissociative Adsorption of Silane on Si(100).
  27. Nikita Matsunaga and David R. Yarkony (Johns Hopkins University)

    Spin-Forbidden Dipole-Allowed Transitions in H2S.
  28. Helen L. de Clercq, Charles A. Fancher, and Kit H. Bowen (Johns Hopkins University)

    Negative Ion Photoelectron Spectroscopy of the Doped Alkali Clusters, KnOH- (n=2-10) and K7Zn-.
    The Selective Stabilization/Destabilization of Cluster Electronic Structure.
  29. Charles A. Fancher, Helen L. de Clercq, and Kit H. Bowen (Johns Hopkins University)

    Negative Ion Photoelectron Spectroscopy of Small Band Gap Semiconductor Clusters, PbnSm- and ZnO-.
  30. Mahmoud S. Kaba and Mark A. Barteau (University of Delaware)

    Nanoscale Characterization of Polyoxometalates by Scanning Tunneling Microscopy and Tunneling Spectroscopy.
  31. Persida Tahiri, Dilip Kondepudi, and John Hall (Wake Forest University)

    Studies in Secondary Nucleation.
  32. Polly E. Gongwer and Thomas B. Brill (University of Delaware)

    Thermal Decomposition of Low Vulnerability Propellant Components and Combinations.
  33. Stanislav I. Stoliarov, Akos Bencsura, Vadim D. Knyzev and Irene R. Slagle (The Catholic University of America)

    Kinetics of the Reaction of Dichloromethyl Radicals with Atomic Oxygen.
  34. José Barriocanal and Mary Wirth (University of Delaware)

    Microscopy of Chromatographic Surfaces.
  35. G.H. Lushington and F. Grein (Army Research Laboratory)

    Configuration Interaction Calculations of Electronic g-Tensors.
  36. Patrick Maiella and Tom Brill (University of Delaware)

    Spectroscopic Investigation of the Hydrothermal Decomposition of NH4+SCN-.
  37. Stephen Sum and Steven Brown (University of Delaware)

    Biomarker Selection for Bacterial Identification Using CART
  38. Preston Moore, Tom Keyes and Michael L. Klein (University of Pennsylvania)

    Instantaneous Normal Modes Description of Friction.
  39. Sundaram Balasubramanian, Christopher J. Mundy and Michael L. Klein (University of Pennsylvania)
    Calculating the Shear Viscosity of Liquid Water.
  40. Ken Bagchi, Sundaram Balasubramanian, Christopher J. Mundy, and Michael L. Klein (University of Pennsylvania)
    Profile Unbiased Thermostats with Dynamical Streaming Velocites.
  41. Alec Belsky and Thomas B. Brill (University of Delaware)

    Decarboxylation of Cyanoacetic Acid in the Hydrothermal Regime.
  42. John Straub and Shuanghong Huo (Boston University)

    Finding Optimal Classical Reaction Paths.
  43. John Straub, Ioan Andricioaei, and Francesca Massi (Boston University)

    Algorithms for Global Optimization and Enhanced Sampling Based on a Generalized Statistical Mechanics Formalism.
  44. S.Constantine, Y. Zhou, J. Morais, and L.D. Ziegler ((Boston University)

    Dispersed Optical Heterodyne Detected Birefringence and Dichroism of Transparent Liquids.
  45. John M. Kovaleski and Mary J. Wirth (University of Delaware)

    Lateral Diffusion of an Adsorbate at Chromatographic Interfaces of Varying C18 Density
  46. Hanae Haouari, Huaiming Wang, Robert Craig, Yifei Liu, John R. Lombardi, and D.M. Lindsay (City College of New York)

    Spectroscopy of Mass-selected Transition Metal Clusters in Argon Matrices.
  47. David E. Budil and Carl Eisenbiegler (Northeastern University)

    Quasi-Optical Techniques at Millimeter Wavelengths: Applications to High-Field EPR at 220 GHz.
  48. Sarah-Jane Frankland and Mark Maroncelli (Pennsylvania State University)

    Molecular Dynamics Simulation of Solvation Studies in Supercritical Fluids.
  49. M.P. Heitz and Mark Maroncelli (Pennsylvania State University)

    Rotational Dynamics in Liquids and Supercritical Fluids.
  50. Eric Mas and Krzystof Szalewicz (University of Delaware)

    Effects of Monomer Geometry on Computed Depth of Water Dimer Potential, and Evaluation of an Intermolecular Potential Energy Surface.
  51. Victor F. Lotrich and Krzystof Szalewicz (University of Delaware)

    Symmetry-Adapted Perturbation Theory of Three-Body Nonadditivity of Intermolecular Interaction Energy.

  52. J. Michael Sauder and Heinrich Roder (University of Pennsylvania)

    Quantitative Kinetic Modeling of Protein Folding and Unfolding.
  53. Kenneth Neubauer, Murray Johnston, and Anthony Wexler (University of Delaware)

    On-Line Analysis of Aqueous Aerosols.
  54. Bryan Marten, Regine Bohacek, Wayne Guida, and Colin McMartin (CIBA)

    Predicting Drug Potency Given 3D Ligand/Receptor Structure: Preliminary Results for HIV1 Protease
  55. Shinichi Sakane, Henry S. Ashbough, and Robert Wood (University of Delaware)

    Continuum Corrections to Simulations of Solvation of an Ion at Infinite Dilution in a Solvent.
  56. Dominick V. Lanzisera and Lester Andrews (University of Virginia)

    Matrix Isolation Spectroscopy and Ab Initio Calculations of High Energy Boron Compounds.
  57. Emanuele Curotto (University of Rhode Island)

    Adiabatic Perturbation Methods for Molecular Inelastic Scattering.
  58. Dong-Hong Sun, Alejandra Gurevich, Laura Kaufman, Brian Bent, Antony Wright and Brian Naasz
    (Columbia University)

    Mimicking a High Pressure Heterogeneous Catalytic Process in Vacuum: A New Approach to Understanding the Direct Process.
  59. Robert Konecny and D. J. Doren (University of Delaware)

    Adsorption of Water on Si(100) Surface: A Density Functional Theory Study.
  60. P. M. Andrews, B. A. Pryor, P. M. Palmer, and M. R. Topp (University of Pennsylvania)

    Spectroscopy of Jet-Cooled Complexes of 3- and 4-Aminophthalimides.
  61. Brian A. Pryor, Peter M. Andrews, Mitchell Berger, Thomas Troxler, and Michael R. Topp (University of Pennsylvania)

    Structure and Dynamics of Perylene/Halogenated Aromatic Complexes.
  62. Tycho von Rosenvinge, Mark E. Tuckerman and Michael L. Klein (University of Pennsylvania)

    Ab initio Simulations of Hydrogen Chloride Hydrates.
  63. M. Pavese and G.A. Voth (University of Pennsylvania)

    Simulations of Proton Transfer in Water and D2O.
  64. C.D. Schwieters and J.B. Delos (University of Pennsylvania)

    Semiclassical Scattering in Semiconductor Microstructures.
  65. Catherine Bentzley, Murray Johnston, Barbara Larsen, and Steven Gutteridge (University of Delaware/The DuPont Company)

    Characterization of Oligonucleotide Strands Using Matrix-Assisted Laser Desorption Ionization Mass Spectrometry.
  66. Jason Evans, Burnaby Munson, and Gordon Nicol (University of Delaware)

    Chemical Ionization Using Heavy Reagent Ions with a Standard CI Source.
  67. Lizhi Liu, Benjamin Chu and R. St. John Manley (State University of New York at Stony Brook)

    SAXS Study of Miscible Blends of Semicrystalline Poly(vinylidenefluoride) and Semicrystalline Poly(1,4-butylene Adipate).
  68. Tianbo Liu, Zukang Zhou, Chunhung Wu, and Benjamin Chu (State University of New York at Stony Brook)

    The Dominant Factors on the Phase Behavior and Micellization of BEB Type Triblock Copolymers in Aqueous Solution.
  69. Shuiqin Zhou and Benjamin Chu (State University of New York at Stony Brook)

    Synthesis and Laser Light Scattering Study of Polymethacrylic acid-co-poly(N-isopropylacrylamide) Microgel Particle in Aqueous Solution.
  70. Jie Su (State University of New York at Stony Brook)

    to be announced
  71. Yue Chen (State University of New York at Stony Brook)

    to be announced
  72. Shoutian Li, Stuart Silvers, and M. S. El-Shall (Virginia Commonwealth University)

    Synthesis, Characterization and Optical Properties of Si-based Nanocrystals.
  73. Y.B. Pithawalla, J. Gao, Z. Yu, and M. S. El-Shall (Virginia Commonwealth University)

    Even/Odd Alternation in Styrene ions. Evidence for Multiple Cyclization During the Early Stages of Polymerization and the Inhibition Effect of Water.
  74. J. Gao, Y.B. Pithawalla and M. S. El-Shall (Virginia Commonwealth University)

    Application of Resonance Ionization-High Pressure Mass Spectrometry to Investigate the Benzene/Propene/Isoprene System.
  75. D. Kane and M. S. El-Shall (Virginia Commonwealth University)

    Ion Induced Nucleation in Supersaturated Vapours.
  76. Ming Nguyen and Stuart J. Silvers (Virginia Commonwealth University)

    Zeeman Quantum Beat Spectroscopy of the R B2 State of CS2.
  77. Jennifer Sterner and Murray Johnston (University of Delaware)

    Charge Stripping in Electrospray Ionization
  78. H.E. Dorsett and J.E. Reutt-Robey (University of Maryland, College Park)

    The Chemistry of Defects: CO, NO and O on Stepped Ni Surfaces.
  79. M. Mavrikakis, D. Doren, and M. Barteau (University of Delaware)

    DFT Calculations of Simple Oxametallacycles: Trends Across the Periodic Table.
  80. Steve Bennett and Douglas P. Ridge and Arnold L. Rheingold (University of Delaware)

    Reaction of Diantimony Anions with Oxygen-containing Species using FTMS
  81. X. Zhou, A.K. Schukla, et al.

    Collision-Induced Dissociation of CS2 Di-cation at High Collision Energy
  82. Eric Yezdimer, Josef Sedlbauer, and Robert H. Wood (University of Delaware)

    Predictions of Partial Molar Volumes at Infinite Dilution of a Large Number of Organic Compounds from 273 K to 523 K.
  83. Josef Sedlbauer, Andrey V. Plyasunov, and Robert H. Wood (University of Delaware)

    Equation of State for Partial Molar Volumes at Infinite Dilution.
  84. Andrei Sharygin and Robert Wood (University of Delaware)

    Getting into Hot Water
  85. Joseph W. Schoppelrei and Thomas B. Brill (University of Delaware)

    Spectroscopic Investigation of the Hydrothermal Decomposition Pathways and Kinetics of Ura, the Guanidium Ion and Carbohydrazide.
  86. S. Antonova, K. Urbanski, J. Qi, A.M. Lyyra and Li Li (Temple University)

    Collisional transfer and gateway effect in single and doubly excited states of Li2.
  87. Andries de Man and Douglas Doren (University of Delaware)

    Atomistic Modeling of Carbon Fiber Surfaces.

The MPP96 Committee, Department of Chemistry and Biochemistry, University of Delaware, Newark DE 19716