Publications: 2011 - Present

  1. Craig A. Taatjes, Fang Liu, Brandon Rotavera, Manoj Kumar, Rebecca Caravan, David L. Osborn, Ward H. Thompson, and Marsha I. Lester
    Journal of Physical Chemistry A, accepted (2017).
    "Hydroxyacetone Production From C​3 Criegee Intermediates"
  1. Oluwaseun O. Mesele and Ward H. Thompson
    Journal of Chemical Physics, 145, 134107  (2016).
    "Removing the Barrier to the Calculation of Activation Energies"
  1. Stéphane Abel, Nuno Galamba, Esra Karakas, Massimo Marchi, Ward H. Thompson, and Damien Laage
    Langmuir 32, 10610-10620  (2016).
    "On the Structural and Dynamical Properties of DOPC Reverse Micelles"
  1. Tapan Maji, Camina H. Mendis, Ward H. Thompson, and Jon A. Tunge
    Journal of Molecular Catalysis A: Chemical 424, 145-152 (2016).
    "Evidence for Isomerizing Hydroformylation of Butadiene. A Combined Experimental and Computational Study"
  1. Pansy D. Patel, Brian B. Laird, and Ward H. Thompson
    Journal of Molecular Catalysis A: Chemical 424, 1-7 (2016).
    "A Density Functional Theory Study of Ethylene Epoxidation Catalyzed by Niobium-doped Silica"
  1. Paul C. Burris, Damien Laage, and Ward H. Thompson
    Journal of Chemical Physics 144, 194709 (2016).
    "Simulations of the Infrared, Raman, and 2D-IR Photon Echo Spectra of Water in Nanoscale Silica Pores"
  1. Krista G. Steenbergen, Jesse L. Kern, Zhenxing Wang, Ward H. Thompson, and Brian B. Laird
    Journal of Physical Chemistry C 120, 5010-5019 (2016).
    "Tunability of Gas-Expanded Liquids under Confinement:  Phase Equilibrium and Transport Properties of Ethylene-expanded Methanol in Mesoporous Silica"
  1. Tatsuya Joutsuka, Ward H. Thompson, and Damien Laage
    Journal of Physical Chemistry Letters 7, 616-621 (2016).
    "Vibrational Quantum Decoherence in Liquid Water"
  2. Wenjuan Yan, Anand Ramanathan, Pansy D. Patel, Swarup K. Maiti, Brian B. Laird, Ward H. Thompson, and Bala Subramaniam
    Journal of Catalysis 336, 75-84 (2016).
    "Mechanistic Insights for Enhancing Activity and Stability of Nb-incorporated Silicates for Selective Ethylene Epoxidation"
  1. Jesse L. Kern, Thomas J. Flynn, Zhenxing Wang, Ward H. Thompson, and Brian B. Laird
    Fluid Phase Equlibria 411, 81-87 (2016).
    "Molecular Simulation of Ethylene-expanded Methanol:  Phase Behavior, Structure, and Transport Properties"
  1. Oluwaseun O. Mesele, Anthony A. Vartia, Damien Laage, and Ward H. Thompson
    Journal of Physical Chemistry B 120, 1546-1559 (2016).
    "Reorientation of Isomeric Butanols: The Multiple Effects of Steric Bulk Arrangement on Hydrogen-Bond Dynamics"
    (Bruce C. Garrett Festschrift)
  1. Robert H. Wells and Ward H. Thompson
    Journal of Physical Chemistry B 119, 12446-12454 (2015).
    "What Determines the Location of a Small Solute in a Nanoconfined Liquid?"
  1. Fang Liu, Yi Fang, Manoj Kumar, Ward H. Thompson, and Marsha I. Lester
    Physical Chemistry Chemical Physics 17, 20490-20494 (2015).
    "Direct Observation of Vinyl Hydroperoxide"
  1. Jacob A. Harvey and Ward H. Thompson, 
    Journal of Chemical Physics 143, 044701 (2015).
    "Solute Location in a Nanoconfined Liquid Depends on Charge Distribution"
  1. Jacob A. Harvey and Ward H. Thompson, 
    Journal of Physical Chemistry B 119, 9150-9159 (2015).
    "Thermodynamic Driving Forces for Dye Molecule Position and Orientation in Nanoconfined Solvents"
    (Branka M. Ladanyi Festschrift)
  1. Ward H. Thompson,
    Molecular Simulation 41​, 788-794 (2015).
    "Structure, Dynamics, and Hydrogen-bonding of Acetonitrile in Nanoscale Silica Pores" 
    (Proceedings of the 3rd International Conference on Molecular Simulation; Kobe, Japan)

  1. Manoj Kumar, Daryle H. Busch, Bala  Subramaniam, and Ward H. Thompson, 
    Physical Chemistry Chemical Physics 16, 22968-22973 (2014).
    "Barrierless Tautomerization of Criegee Intermediate via Acid Catalysis"
  1. Manoj Kumar, Daryle H. Busch, Bala Subramaniam, and Ward H. Thompson, 
    Journal of Physical Chemistry A 117, 9701-9711 (2014).
    "Role of Tunable Acid Catalysis in Decomposition of α-Hydroxyalkyl Hydroperoxides and Mechanistic Implications for Tropospheric Chemistry"
  1. Aoife C. Fogarty, Elise Duboué-Dijon, Damien Laage, and Ward H. Thompson, 
    Journal of Chemical Physics 141, 18C523 (2014).
    "Origins of the Non-exponential Reorientation Dynamics of Nanoconfined Water"
    (invited for a special issue on Interfacial and Confined Water)
  1. Euna Yoo, Deepak B. Salunke, Diptesh Sil, Xiaoqiang Guo, Alex C.D. Salyer, Alec R. Hermanson, Manoj Kumar, Subbalakshmi S. Malladi, Rajalakshmi Balakrishna, Ward H. Thompson, Hiromi Tanji, Umeharu Ohto, Toshiyuki Shimizu, and Sunil A. David
    Journal of Medicinal Chemistry 57, 7955-7970 (2014).
    "Determinants of Activity at Human Toll-like Receptors 7 and 8: QSAR of Diverse Heterocyclic Scaffolds"
  1. Cassandra D. Norton and Ward H. Thompson,
    Journal of Physical Chemistry B 118, 8227-8235 (2014).
    "Reorientation Dynamics of Nanoconfined Acetonitrile: A Critical Examination of Two-State Models(James L. Skinner Festschrift)

  1. Manoj Kumar, Daryle H. Busch, Bala Subramaniam, and Ward H. Thompson,
    Journal of Physical Chemistry A 118, 5020-5028 (2014).
    "Organic Acids Tunably Catalyze Carbonic Acid Decomposition

  1. Manoj Kumar, Daryle H. Busch, Bala Subramaniam, and Ward H. Thompson,
    Journal of Physical Chemistry A 118, 1887-1894 (2014).
    "The Criegee Intermediate Reaction with CO.  Mechanism, Barriers, Conformer-Dependence, and Implications for Ozonolysis Chemistry"

  1. Cassandra D. Norton and Ward H. Thompson,
    Journal of Physical Chemistry C 117, 19107-19114, (2013).
    On the Diffusion of Acetonitrile in Nanoscale Amorphous Silica Pores. Understanding Anisotropy and the Effects of Hydrogen Bonding

  1. Anthony A. Vartia and Ward H. Thompson,
    Journal of Physical Chemistry B 116, 5414-5424 (2012).
    Solvation and Spectra of a Charge Transfer Solute in Ethanol Confined within Nanoscale Silica Pores

  1. Damien Laage and Ward H. Thompson,
    Journal of Chemical Physics 136, 044513 (2012).
    Reorientation Dynamics of Nanoconfined Water: Power-Law Decay, Hydrogen-Bond Jumps, and Test of a Two-State Model

  2. Being J. Ka and Ward H. Thompson,
    Journal of Physical Chemistry A 116, 832-838 (2012).
    Sampling the Proton Transfer Reaction Coordinate in Mixed Quantum-Classical Molecular Dynamics Simulations"

  3. Anthony A. Vartia, Katie R. Mitchell-Koch,Guillaume Stirnemann, Damien Laage, and Ward H. Thompson,
    Journal of Physical Chemistry B 115, 12173-12178 (2011).
    On the Reorientation and Hydrogen-Bond Dynamics of Alcohols"

  4. Brian B. Laird and Ward H. Thompson,
    Journal of Chemical Physics 135, 084511 (2011).
    Time-Dependent Fluorescence in Nanoconfined Solvents: Linear Response Approximations and Gaussian Statistics"

  5. Christine M. Morales and Ward H. Thompson,
    Journal of Physical Chemistry B 115, 7597-7605 (2011).
    ”Molecular-level Mechanisms of Vibrational Frequency Shifts in a Polar Liquid"

  1. Ward H. Thompson,
    Annual Reviews of Physical Chemistry 62, 599-619 (2011).
    "Solvation Dynamics and Proton Transfer in Nanoconfined Liquids”


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