Publications: 2000 - 2005

  1. Tolga S. Gulmen and Ward H. Thompson,
    ”Model Silica Pores with Controllable Surface Chemistry for Molecular Dynamics Simulations"
    in Dynamics in Small Confining Systems VIII, edited by J.T. Fourkas, P. Levitz, R. Overney, and M. Urbakh (Mater. Res. Soc. Symp. Proc. 899E, Warrendale, PA, 2005), 0899-N06-05.

  2. Ward H. Thompson,
    Journal of Physical Chemistry B109, 18201 - 18208 (2005).
    ”Proton Transfer in Nano-confined Polar Solvents. II. Adiabatic Proton Transfer Dynamics"

  3. J. A. Gomez, Ashley K. Tucker, Tricia D. Shepherd, and Ward H. Thompson,
    Journal of Physical Chemistry B109, 17479 - 17487 (2005).
    ”Conformational Free Energies of 1,2-Dichloroethane in Nanoconfined Methanol"

  4. Randall E. Robinson, Thomas C. Holovics, Stephan F. Deplazes, Douglas R. Powell, Gerald H. Lushington, Ward H. Thompson, and Mikhail V. Barybin
    Organometallics24, 2486-2497 (2005).
    ”Five Possible Isocyanoazulenes and Electron-Rich Complexes Thereof: A Quantitative Organometallic Approach for Probing Electronic Inhomogeneity of the Azulenic Framework"

  5. Shenmin Li and Ward H. Thompson,
    Chemical Physics Letters405, 304-309 (2005).
    ”How Accurate is Time-Independent Perturbation Theory for Calculating Frequency Shifts of Diatomic Molecules in Rare Gas Fluids?"

  6. Shenmin Li and Ward H. Thompson,
    Journal of Physical Chemistry B109, 4941 - 4946 (2005).
    ”Proton Transfer in Nano-confined Polar Solvents. I. Free Energies and Solute Position"

  7. J. A. Gomez and Ward H. Thompson,
    Journal of Physical Chemistry B108, 20144 - 20154 (2004).
    ”Monte Carlo Simulations of Absorption and Fluorescence Spectra in Ellipsoidal Nanocavities'' (Cover)

  8. Shenmin Li, Tricia D. Shepherd, and Ward H. Thompson,
    Journal of Physical Chemistry A108, 7347-7355 (2004).
    ”Simulations of the Vibrational Relaxation of a Model Diatomic Molecule in a Nano-confined Polar Solvent''

  9. Ward H. Thompson,
    Journal of Chemical Physics120, 8125-8133 (2004).
    ”Simulations of Time-Dependent Fluorescence in Nano-Confined Solvents'' (pdf)

  10. Cora E. MacBeth, Rajeeve Gupta, Katie R. Mitchell-Koch, Victor G. Young, Jr., Gerald H. Lushington, Ward H. Thompson, Michael P. Hendrich, and A. S. Borovik
    Journal of the American Chemical Society126, 2556-2567 (2004).
    ”Utilization of Hydrogen Bonds to Stabilize M-O(H) Units: Synthesis and Properties of Monomeric Iron and Manganese Complexes with Terminal Oxo and Hydroxo Ligands''

  11. Shenmin Li and Ward H. Thompson
    Chemical Physics Letters383, 326-331 (2004).
    ”Molecular Dynamics Simulations of the Vibrational Relaxation of I2 in Xe on an Ab Initio-Based Potential Function"

  12. Shenmin Li and Ward H. Thompson
    Journal of Physical Chemistry A107, 8696-8704 (2003).
    ”Simulations of Vibrational Relaxation of I2 in Xe"

  13. Damien Laage, Ward H. Thompson, Mireille Blanchard-Desce, and James T. Hynes
    Journal of Physical Chemistry A107, 6032-6046 (2003).
    ”Charged Push-Pull Polyenes in Solution: Anomalous Solvatochromism and Nonlinear Optical Properties"

  14. Ward H. Thompson,
    Journal of Chemical Physics118, 1059-1067 (2003).
    ”A General Method for Implementing Vibrationally Adiabatic Mixed Quantum-Classical Simulations" (pdf)

  15. Ward H. Thompson,
    Journal of Chemical Physics117, 6618-6628 (2002).
    ”A Monte Carlo Study of Spectroscopy in Nano-Confined Solvents'' (pdf)

  16. Ward H. Thompson,
    Chemical Physics Letters350, 113-118 (2001).
    "Mixed Quantum-Classical Simulation of Vibrational Frequency Modulations of a Diatomic Molecule in a Rare Gas Fluid"

  17. Ward H. Thompson, Philip M. Kiefer and James T. Hynes,
    ”Transition States and Reaction Dynamics - An Overview'',
    in Femtochemistry IV (Wiley, New York, 2001).

  18. Roberto Bianco, Ward H. Thompson, Akihiro Morita, and James T. Hynes,
    Journal of Physical Chemistry A105, 3132-3139 (2001).
    ”Is the H2OCl+ Ion a Viable Intermediate for the Hydrolysis of ClONO2 on Ice Surfaces?''

  19. Ward H. Thompson and James T. Hynes,
    Journal of Physical Chemistry A105, 2582-2590 (2001).
    ”Model Study of the Acid-Base Proton-Transfer Reaction of the ClH...OH2 Pair in Low-Polarity Solvents''

  20. Ward H. Thompson and James T. Hynes,
    Journal of the American Chemical Society122, 6278-6286 (2000).
    ”Frequency Shifts in the Hydrogen-Bonded OH Stretch in Water-Halide Clusters. The Importance of Charge Transfer''

  21. Pascal Plaza, Damien Laage, Monique M. Martin, Valerie Alain, Mireille Blanchard-Desce, Ward H. Thompson, and James T. Hynes,
    Journal of Physical Chemistry A104, 2396-2401 (2000).
    ”Excited State Dynamics in Polar Solvents of Push-Pull Polyenes Designed for Nonlinear Optics''