Ward H. Thompson - Publications

Affiliations: 
Chemistry University of Kansas, Lawrence, KS, United States 
Area:
Physical Chemistry

95 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2021 Piskulich ZA, Laage D, Thompson WH. On the role of hydrogen-bond exchanges in the spectral diffusion of water. The Journal of Chemical Physics. 154: 064501. PMID 33588543 DOI: 10.1063/5.0041270  1
2020 Borkowski AK, Piskulich ZA, Thompson WH. Examining the Hofmeister Series through Activation Energies: Water Diffusion in Aqueous Alkali-Halide Solutions. The Journal of Physical Chemistry. B. PMID 33382267 DOI: 10.1021/acs.jpcb.0c09965  1
2020 Piskulich ZA, Thompson WH. Temperature Dependence of the Water Infrared Spectrum: Driving Forces, Isosbestic Points, and Predictions. The Journal of Physical Chemistry Letters. 7762-7768. PMID 32852956 DOI: 10.1021/acs.jpclett.0c02301  1
2020 Piskulich ZA, Laage D, Thompson WH. Activation energies and the extended jump model: How temperature affects reorientation and hydrogen-bond exchange dynamics in water. The Journal of Chemical Physics. 153: 074110. PMID 32828097 DOI: 10.1063/5.0020015  1
2020 Katiyar A, Freire Sovierzoski JC, Calio PB, Vartia AA, Thompson WH. Water plays a dynamical role in a hydrogen-bonded, hexameric supramolecular assembly. Physical Chemistry Chemical Physics : Pccp. PMID 32124881 DOI: 10.1039/c9cp06874k  1
2020 Piskulich ZA, Thompson WH. The dynamics of supercooled water can be predicted from room temperature simulations. The Journal of Chemical Physics. 152: 074505. PMID 32087653 DOI: 10.1063/1.5139435  1
2020 Piskulich ZA, Thompson WH. On the temperature dependence of liquid structure. The Journal of Chemical Physics. 152: 011102. PMID 31914747 DOI: 10.1063/1.5135932  1
2019 Piskulich ZA, Mesele OO, Thompson WH. Activation Energies and Beyond. The Journal of Physical Chemistry. A. PMID 31250645 DOI: 10.1021/acs.jpca.9b03967  1
2019 Mendis CH, Piskulich ZA, Thompson WH. Tests of the Stokes-Einstein Relation through the Shear Viscosity Activation Energy of Water. The Journal of Physical Chemistry. B. PMID 31194553 DOI: 10.1021/acs.jpcb.9b04647  1
2019 Katiyar A, Freire Sovierzoski JC, Calio PB, Vartia AA, Thompson WH. Water plays a diverse role in a hydrogen-bonded, hexameric supramolecular assembly. Chemical Communications (Cambridge, England). PMID 31116200 DOI: 10.1039/c9cc03151k  1
2019 Palafox-Hernandez JP, Mendis CH, Thompson WH, Laird BB. Pressure and Temperature Tuning of Gas-Expanded Liquid Structure and Dynamics. The Journal of Physical Chemistry. B. PMID 30848599 DOI: 10.1021/acs.jpcb.8b09826  1
2018 Piskulich ZA, Thompson WH. The activation energy for water reorientation differs between IR pump-probe and NMR measurements. The Journal of Chemical Physics. 149: 164504. PMID 30384705 DOI: 10.1063/1.5050203  1
2018 Piskulich ZA, Mesele OO, Thompson WH. Expanding the calculation of activation volumes: Self-diffusion in liquid water. The Journal of Chemical Physics. 148: 134105. PMID 29626912 DOI: 10.1063/1.5023420  1
2017 Piskulich ZA, Mesele OO, Thompson WH. Removing the barrier to the calculation of activation energies: Diffusion coefficients and reorientation times in liquid water. The Journal of Chemical Physics. 147: 134103. PMID 28987106 DOI: 10.1063/1.4997723  1
2017 Mesele OO, Thompson WH. A "Universal" Spectroscopic Map for the OH Stretching Mode in Alcohols. The Journal of Physical Chemistry. A. PMID 28715218 DOI: 10.1021/acs.jpca.7b05836  1
2016 Mesele OO, Thompson WH. Removing the barrier to the calculation of activation energies. The Journal of Chemical Physics. 145: 134107. PMID 27782445 DOI: 10.1063/1.4964284  1
2016 Abel S, Galamba N, Karakas E, Marchi M, Thompson WH, Laage D. On the Structural and Dynamical Properties of DOPC Reverse Micelles. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 27649391 DOI: 10.1021/acs.langmuir.6b02566  1
2016 Burris PC, Laage D, Thompson WH. Simulations of the infrared, Raman, and 2D-IR photon echo spectra of water in nanoscale silica pores. The Journal of Chemical Physics. 144: 194709. PMID 27208967 DOI: 10.1063/1.4949766  1
2016 Joutsuka T, Thompson WH, Laage D. Vibrational Quantum Decoherence in Liquid Water. The Journal of Physical Chemistry Letters. 7: 616-21. PMID 26807717 DOI: 10.1021/acs.jpclett.5b02637  1
2016 Maji T, Mendis CH, Thompson WH, Tunge JA. Evidence for isomerizing hydroformylation of butadiene. A combined experimental and computational study Journal of Molecular Catalysis a: Chemical. 424: 145-152. DOI: 10.1016/j.molcata.2016.08.021  1
2016 Patel PD, Laird BB, Thompson WH. A density functional theory study of ethylene epoxidation catalyzed by niobium-doped silica Journal of Molecular Catalysis a: Chemical. 424: 1-7. DOI: 10.1016/j.molcata.2016.07.052  1
2016 Yan W, Ramanathan A, Patel PD, Maiti SK, Laird BB, Thompson WH, Subramaniam B. Mechanistic insights for enhancing activity and stability of Nb-incorporated silicates for selective ethylene epoxidation Journal of Catalysis. 336: 75-84. DOI: 10.1016/j.jcat.2015.12.022  0.44
2016 Kern JL, Flynn TJ, Wang Z, Thompson WH, Laird BB. Molecular simulation of ethylene-expanded methanol: Phase behavior, structure, and transport properties Fluid Phase Equilibria. 411: 81-87. DOI: 10.1016/j.fluid.2015.12.022  0.44
2015 Wells RH, Thompson WH. What Determines the Location of a Small Solute in a Nanoconfined Liquid? The Journal of Physical Chemistry. B. 119: 12446-54. PMID 26372781 DOI: 10.1021/acs.jpcb.5b04770  1
2015 Mesele OO, Vartia AA, Laage D, Thompson WH. Reorientation of Isomeric Butanols: The Multiple Effects of Steric Bulk Arrangement on Hydrogen-Bond Dynamics. The Journal of Physical Chemistry. B. PMID 26356232 DOI: 10.1021/acs.jpcb.5b07692  1
2015 Harvey JA, Thompson WH. Solute location in a nanoconfined liquid depends on charge distribution. The Journal of Chemical Physics. 143: 044701. PMID 26233151 DOI: 10.1063/1.4926936  1
2015 Liu F, Fang Y, Kumar M, Thompson WH, Lester MI. Direct observation of vinyl hydroperoxide. Physical Chemistry Chemical Physics : Pccp. 17: 20490-4. PMID 26199999 DOI: 10.1039/c5cp02917a  1
2015 Harvey JA, Thompson WH. Thermodynamic Driving Forces for Dye Molecule Position and Orientation in Nanoconfined Solvents. The Journal of Physical Chemistry. B. 119: 9150-9. PMID 25295835 DOI: 10.1021/jp509051n  1
2015 Thompson WH. Structure, dynamics and hydrogen bonding of acetonitrile in nanoscale silica pores Molecular Simulation. 41: 788-794. DOI: 10.1080/08927022.2014.926550  1
2014 Fogarty AC, Duboué-Dijon E, Laage D, Thompson WH. Origins of the non-exponential reorientation dynamics of nanoconfined water. The Journal of Chemical Physics. 141: 18C523. PMID 25399188 DOI: 10.1063/1.4896983  1
2014 Kumar M, Busch DH, Subramaniam B, Thompson WH. Barrierless tautomerization of Criegee intermediates via acid catalysis. Physical Chemistry Chemical Physics : Pccp. 16: 22968-73. PMID 25259380 DOI: 10.1039/c4cp03065f  1
2014 Kumar M, Busch DH, Subramaniam B, Thompson WH. Role of tunable acid catalysis in decomposition of α-hydroxyalkyl hydroperoxides and mechanistic implications for tropospheric chemistry. The Journal of Physical Chemistry. A. 118: 9701-11. PMID 25234427 DOI: 10.1021/jp505100x  1
2014 Yoo E, Salunke DB, Sil D, Guo X, Salyer AC, Hermanson AR, Kumar M, Malladi SS, Balakrishna R, Thompson WH, Tanji H, Ohto U, Shimizu T, David SA. Determinants of activity at human Toll-like receptors 7 and 8: quantitative structure-activity relationship (QSAR) of diverse heterocyclic scaffolds. Journal of Medicinal Chemistry. 57: 7955-70. PMID 25192394 DOI: 10.1021/jm500744f  1
2014 Kumar M, Busch DH, Subramaniam B, Thompson WH. Organic acids tunably catalyze carbonic acid decomposition. The Journal of Physical Chemistry. A. 118: 5020-8. PMID 24933150 DOI: 10.1021/jp5037469  1
2014 Norton CD, Thompson WH. Reorientation dynamics of nanoconfined acetonitrile: a critical examination of two-state models. The Journal of Physical Chemistry. B. 118: 8227-35. PMID 24689814 DOI: 10.1021/jp501363q  1
2014 Kumar M, Busch DH, Subramaniam B, Thompson WH. Criegee intermediate reaction with CO: mechanism, barriers, conformer-dependence, and implications for ozonolysis chemistry. The Journal of Physical Chemistry. A. 118: 1887-94. PMID 24527836 DOI: 10.1021/jp500258h  1
2013 Norton CD, Thompson WH. On the diffusion of acetonitrile in nanoscale amorphous silica pores. understanding anisotropy and the effects of hydrogen bonding Journal of Physical Chemistry C. 117: 19107-19114. DOI: 10.1021/jp407830f  1
2012 Vartia AA, Thompson WH. Solvation and spectra of a charge transfer solute in ethanol confined within nanoscale silica pores. The Journal of Physical Chemistry. B. 116: 5414-24. PMID 22482696 DOI: 10.1021/jp210737c  1
2012 Laage D, Thompson WH. Reorientation dynamics of nanoconfined water: power-law decay, hydrogen-bond jumps, and test of a two-state model. The Journal of Chemical Physics. 136: 044513. PMID 22299897 DOI: 10.1063/1.3679404  1
2012 Ka BJ, Thompson WH. Sampling the proton transfer reaction coordinate in mixed quantum-classical molecular dynamics simulations. The Journal of Physical Chemistry. A. 116: 832-8. PMID 22148746 DOI: 10.1021/jp206772e  1
2011 Vartia AA, Mitchell-Koch KR, Stirnemann G, Laage D, Thompson WH. On the reorientation and hydrogen-bond dynamics of alcohols. The Journal of Physical Chemistry. B. 115: 12173-8. PMID 21916487 DOI: 10.1021/jp206875k  1
2011 Laird BB, Thompson WH. Time-dependent fluorescence in nanoconfined solvents: linear-response approximations and Gaussian statistics. The Journal of Chemical Physics. 135: 084511. PMID 21895203 DOI: 10.1063/1.3626825  1
2011 Morales CM, Thompson WH. Molecular-level mechanisms of vibrational frequency shifts in a polar liquid. The Journal of Physical Chemistry. B. 115: 7597-605. PMID 21608988 DOI: 10.1021/jp201591c  1
2011 Thompson WH. Solvation dynamics and proton transfer in nanoconfined liquids. Annual Review of Physical Chemistry. 62: 599-619. PMID 21219146 DOI: 10.1146/annurev-physchem-032210-103330  1
2010 Maher TR, Spaeth AD, Neal BM, Berrie CL, Thompson WH, Day VW, Barybin MV. Linear 6,6'-biazulenyl framework featuring isocyanide termini: synthesis, structure, redox behavior, complexation, and self-assembly on Au(111). Journal of the American Chemical Society. 132: 15924-6. PMID 20977232 DOI: 10.1021/ja108202d  1
2010 Weaver JD, Ka BJ, Morris DK, Thompson W, Tunge JA. Stereospecific decarboxylative allylation of sulfones. Journal of the American Chemical Society. 132: 12179-81. PMID 20715821 DOI: 10.1021/ja104196x  1
2010 Ka BJ, Thompson WH. Nonadiabatic effects on proton transfer rate constants in a nanoconfined solvent. The Journal of Physical Chemistry. B. 114: 7535-42. PMID 20469941 DOI: 10.1021/jp911740c  1
2010 Feng X, Thompson WH. Time-dependent fluorescence in nanoconfined solvents. A Smoluchowski equation model study Journal of Physical Chemistry C. 114: 4279-4290. DOI: 10.1021/jp909617e  1
2009 Gulmen TS, Thompson WH. Grand canonical Monte Carlo simulations of acetonitrile filling of silica pores of varying hydrophilicity/hydrophobicity. Langmuir : the Acs Journal of Surfaces and Colloids. 25: 1103-11. PMID 19113811 DOI: 10.1021/la801896g  1
2009 Morales CM, Thompson WH. Simulations of infrared spectra of nanoconfined liquids: acetonitrile confined in nanoscale, hydrophilic silica pores. The Journal of Physical Chemistry. A. 113: 1922-33. PMID 19061371 DOI: 10.1021/jp8072969  1
2008 Pitt MA, Zakharov LN, Vanka K, Thompson WH, Laird BB, Johnson DW. Multiple weak supramolecular interactions stabilize a surprisingly twisted As2L3 assembly. Chemical Communications (Cambridge, England). 3936-8. PMID 18726040 DOI: 10.1039/b806958a  1
2008 Mitchell-Koch KR, Thompson WH. Infrared spectra of a model phenol-amine proton transfer complex in nanoconfined CH3Cl. The Journal of Physical Chemistry. B. 112: 7448-59. PMID 18517239 DOI: 10.1021/jp076714e  1
2008 Toriyama M, Maher TR, Holovics TC, Vanka K, Day VW, Berrie CL, Thompson WH, Barybin MV. Multipoint anchoring of the [2.2.2.2]metacyclophane motif to a gold surface via self-assembly: coordination chemistry of a cyclic tetraisocyanide revisited. Inorganic Chemistry. 47: 3284-91. PMID 18345627 DOI: 10.1021/ic702401b  1
2008 Morales CM, Thompson WH. Umbrella sampling of solute vibrational line shifts in mixed quantum-classical molecular dynamics simulations. The Journal of Physical Chemistry. B. 112: 313-20. PMID 18081335 DOI: 10.1021/jp075038d  1
2008 Thompson WH. Theoretical studies of spectroscopy in nanoconfined solvents Acs National Meeting Book of Abstracts 1
2007 Morales CM, Thompson WH. Mixed quantum-classical molecular dynamics analysis of the molecular-level mechanisms of vibrational frequency shifts. The Journal of Physical Chemistry. A. 111: 5422-33. PMID 17580980 DOI: 10.1021/jp071656i  1
2007 Laird BB, Thompson WH. On the connection between Gaussian statistics and excited-state linear response for time-dependent fluorescence. The Journal of Chemical Physics. 126: 211104. PMID 17567183 DOI: 10.1063/1.2747237  1
2007 Feng X, Thompson WH. Smoluchowski equation description of solute diffusion dynamics and time-dependent fluorescence in nanoconfined solvents Journal of Physical Chemistry C. 111: 18060-18072. DOI: 10.1021/jp074516h  1
2007 Mitchell-Koch KR, Thompson WH. How important is entropy in determining the position-dependent free energy of a solute in a nanoconfined solvent? Journal of Physical Chemistry C. 111: 11991-12001. DOI: 10.1021/jp072580t  1
2006 Gulmen TS, Thompson WH. Testing a two-state model of nanoconfined liquids: conformational equilibrium of ethylene glycol in amorphous silica pores. Langmuir : the Acs Journal of Surfaces and Colloids. 22: 10919-23. PMID 17154565 DOI: 10.1021/la062285k  1
2006 Li K, Vanka K, Thompson WH, Tunge JA. Stereochemical control in the reduction of 2-chromanols. Organic Letters. 8: 4711-4. PMID 17020284 DOI: 10.1021/ol061727g  1
2006 Gulmen TS, Thompson WH. Conformational stability of ethylene glycol in mesoporous media Acs National Meeting Book of Abstracts. 231.  1
2005 Li S, Thompson WH. Proton transfer in nanoconfined polar solvents. 1. Free energies and solute position. The Journal of Physical Chemistry. B. 109: 4941-6. PMID 16863151 DOI: 10.1021/jp045036i  1
2005 Thompson WH. Proton transfer in nanoconfined polar solvents. II. Adiabatic proton transfer dynamics. The Journal of Physical Chemistry. B. 109: 18201-8. PMID 16853338 DOI: 10.1021/jp053043g  1
2005 Gomez JA, Tucker AK, Shepherd TD, Thompson WH. Conformational free energies of 1,2-dichloroethane in nanoconfined methanol. The Journal of Physical Chemistry. B. 109: 17479-87. PMID 16853235 DOI: 10.1021/jp052148g  1
2005 Li S, Thompson WH. How accurate is time-independent perturbation theory for calculating frequency shifts of diatomic molecules in rare gas fluids? Chemical Physics Letters. 405: 304-309. DOI: 10.1016/j.cplett.2005.02.009  1
2005 Gulmen TS, Thompson WH. Model silica pores with controllable surface chemistry for molecular dynamics simulations Materials Research Society Symposium Proceedings. 899: 77-86.  1
2004 Thompson WH. Simulations of time-dependent fluorescence in nano-confined solvents. The Journal of Chemical Physics. 120: 8125-33. PMID 15267732 DOI: 10.1063/1.1691391  1
2004 MacBeth CE, Gupta R, Mitchell-Koch KR, Young VG, Lushington GH, Thompson WH, Hendrich MP, Borovik AS. 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. Journal of the American Chemical Society. 126: 2556-67. PMID 14982465 DOI: 10.1021/ja0305151  1
2004 Gomez JA, Thompson WH. Monte Carlo simulations of absorption and fluorescence spectra in ellipsoidal nanocavities Journal of Physical Chemistry B. 108: 20144-20154. DOI: 10.1021/jp049092v  1
2004 Li S, Shepherd TD, Thompson WH. Simulations of the vibrational relaxation of a model diatomic molecule in a nanoconfined polar solvent Journal of Physical Chemistry A. 108: 7347-7355. DOI: 10.1021/jp048361e  1
2004 Li S, Thompson WH. Molecular dynamics simulations of the vibrational relaxation of I 2 in Xe on an ab initio-based potential function Chemical Physics Letters. 383: 326-331. DOI: 10.1016/j.cplett.2003.11.041  1
2004 Phillips AK, Shepherd TD, Thompson WH. Monte Carlo simulations of 1,2-dichloroethane in nanoconfined systems Acs National Meeting Book of Abstracts. 227.  1
2003 Thompson WH. A general method for implementing vibrationally adiabatic mixed quantum-classical simulations Journal of Chemical Physics. 118: 1059-1067. DOI: 10.1063/1.1528891  1
2003 Li S, Thompson WH. Simulations of the vibrational relaxation of I2 in Xe Journal of Physical Chemistry A. 107: 8696-8704. DOI: 10.1021/jp0345452  1
2003 Laage D, Thompson WH, Blanchard-Desce M, Hynes JT. Charged push - Pull polyenes in solution: Anomalous solvatochromism and nonlinear optical properties Journal of Physical Chemistry A. 107: 6032-6046. DOI: 10.1021/jp0276597  1
2002 Thompson WH. A Monte Carlo study of spectroscopy in nanoconfined solvents Journal of Chemical Physics. 117: 6618-6628. DOI: 10.1063/1.1505436  1
2001 Thompson WH, Hynes JT. Model study of the acid-base proton-transfer reaction of the ClH⋯OH2 pair in low-polarity solvents Journal of Physical Chemistry A. 105: 2582-2590. DOI: 10.1021/jp003880c  1
2001 Thompson WH. Mixed quantum-classical simulation of vibrational frequency modulations of a diatomic molecule in a rare gas fluid Chemical Physics Letters. 350: 113-118. DOI: 10.1016/S0009-2614(01)01262-3  1
2001 Thompson WH, Hynes JT. Model study of the acid-base proton-transfer reaction of the CIH⋯OH2 pair in low-polarity solvents Journal of Physical Chemistry A. 105: 2581-2590.  1
2001 Bianco R, Thompson WH, Morita A, Hynes JT. Is the H 2OCl + Ion a Viable Intermediate for the Hydrolysis of ClONO 2 on Ice Surfaces? Journal of Physical Chemistry A. 105: 3132-3139.  1
2000 Thompson WH, Hynes JT. Frequency shifts in the hydrogen-bonded OH stretch in halide - water clusters. The importance of charge transfer Journal of the American Chemical Society. 122: 6278-6286. DOI: 10.1021/ja993058q  1
1999 Thompson WH. Quantum mechanical transition state theory and tunneling corrections Journal of Chemical Physics. 110: 4221-4228.  1
1999 Thompson WH. On Obtaining Reactive Potential Energy Surfaces from Transition State Photodetachment Spectra. I. Sensitivity Analysis Journal of Physical Chemistry A. 103: 9500-9505.  1
1999 Thompson WH. On Obtaining Reactive Potential Energy Surfaces from Transition State Photodetachment Spectra. II. Inversion of Spectra in Model Systems Journal of Physical Chemistry A. 103: 9506-9511.  1
1999 Thompson WH, Blanchard-Desce M, Alain V, Muller J, Fort A, Barzoukas M, Hynes JT. Two valence bond state model for molecular nonlinear optical properties. Comparison with push-pull polyene solution measurements Journal of Physical Chemistry A. 103: 3766-3771.  1
1998 Wang H, Thompson WH, Miller WH. "Direct" calculation of thermal rate constants for the F + H2 → HF + F reaction Journal of Physical Chemistry A. 102: 9372-9379.  1
1998 Thompson WH, Blanchard-Desce M, Hynes JT. Two valence bond state model for molecular nonlinear optical properties. Nonequilibrium solvation formulation Journal of Physical Chemistry A. 102: 7712-7722.  1
1997 Thompson WH. Direct Calculation of Reactive Thermal Rate Constants Acs Symposium Series. 678: 304-318.  1
1997 Wang H, Thompson WH, Miller WH. Thermal rate constant calculation using flux-flux autocorrelation functions: Application to Cl+H2→HCl+H reaction Journal of Chemical Physics. 107: 7194-7201.  1
1997 Thompson WH, Miller WH. On the "direct" calculation of thermal rate constants. II. The flux-flux autocorrelation function with absorbing potentials, with application to the O+HCl→OH+Cl reaction Journal of Chemical Physics. 106: 142-150.  1
1996 Thompson WH, Karlsson HO, Miller WH. Theoretical calculation of photodetachment intensities for H3O- Journal of Chemical Physics. 105: 5387-5396.  1
1995 Thompson WH, Miller WH. On the "direct" calculation of thermal rate constants The Journal of Chemical Physics. 102: 7409-7417.  1
1994 Thompson WH, Miller WH. Initial state-selected reaction probabilities for OH+H2→ H+H2O and photodetachment intensities for HOH2- The Journal of Chemical Physics. 101: 8620-8627.  1
1993 Thompson WH, Miller WH. State-specific reaction probabilities from a DVR-ABC Green function Chemical Physics Letters. 206: 123-129. DOI: 10.1016/0009-2614(93)85528-V  1
Show low-probability matches.