Complete listing on Google Scholar
(most publications prior to 2009 are not listed below)


BrHgO• + C2H4 and BrHgO• + HCHO in Atmospheric Oxidation of Mercury: Determining Rate Constants of Reactions with Pre-Reactive Complexes and a Bifurcation. J. Phys. Chem. A 2019, submitted.

Computational Study on the Photolysis of BrHgONO and the Reactions of BrHgO• with CH4, C2H6, NO, and NO2: Implications for Formation of Hg(II) Compounds in the Atmosphere. Khoa T. Lam, Curtis J. Wilhelmsen, Abraham C. Schwid, Yuge Jiao, and Theodore S. Dibble, J. Phys. Chem. A 2019, 123, 1637-47.Scheme of Br + Hg to fate of BrHgO


Comment on “Isomerization of the methoxy radical revisited: the impact of water dimers” … and “Isomerization of methoxy radical in the troposphere: competition between acidic, neutral and basic catalysts” …. T. S. Dibble, Phys. Chem. Chem. Phys., 2018, 20, 11481-11482.


Structures, Vibrational Frequencies, and Bond Energies of the BrHgOX and BrHgXO Species Formed in Atmospheric Mercury Depletion Events. Y. Jiao and T. S. Dibble, J. Phys. Chem A 2017, 17, 6353-6371.

A new mechanism for atmospheric mercury redox chemistry: implications for the global mercury budget. H. M. Horowitz, et al., Atmos. Chem. Phys. 2017, 17, 6353-6371.

First kinetic study of the atmospherically important reactions BrHg + NO2 and BrHg + HOO. Y. Jiao and T. S. Dibble, Phys. Chem. Chem. Phys. 2017, 19, 1826-1838.


Thermodynamics limits the reactivity of BrHg• radical with volatile organic compounds. T. S. Dibble and A. C. Schwid, Chem. Phys. Lett. 2016, 659, 289-294.

Tunneling effect in 1,5 H-migration of a prototypical •OOQOOH. Y. Sha and T. S. Dibble, Chem. Phys. Lett. 2016, 646, 153-157.

Critical Review of Atmospheric Chemistry of Alkoxy Radicals. T. S. Dibble and J. Chai, in Advances in Chemistry of the Contemporary Atmosphere: Volume I, J. R. Barter, T. J. Wallington, and A. Steiner, Eds, World Scientific, 2016.


Quality Structures, Vibrational Frequencies, and Thermochemistry of the Products of Reaction of BrHg• with NO2, HOO, ClO, BrO, and IO . Y. Jiao and T. S. Dibble, J. Phys. Chem. A 2015, 119, 10502–10510.

Quantum Chemical Study of Autoignition of Methyl Butanoate. Y. Jiao, F. Zhang, and T. S. Dibble, J. Phys. Chem. A 2015, 119, 7282–7292.


Quantum Chemistry Guide to PTRMS Studies of As-Yet Undetected Products of the Bromine-Atom Initiated Oxidation of Gaseous Elemental Mercury. T. S. Dibble, M. J. Zelie, and Y. Jiao, J. Phys. Chem. A 2014, 118, 7847–7854.

Pressure Dependence and Kinetic Isotope Effects in the Absolute Rate Constant for Methoxy Radical Reacting with NO2. J. Chai and T. S. Dibble, Int. J. Chem. Kinet. 2014, 46, 501-511.

Rate Constants and Kinetic Isotope Effects for Methoxy Radical Reacting with NO2 and O2. J. Chai, H. Hu, T. S. Dibble, G. S. Tyndall, and J. J. Orlando. J. Phys. Chem. A 2014, 118, 3552–3563.


Quantum Chemistry, Reaction Kinetics, and Tunneling Effects in the Reaction of Methoxy Radicals with O2. H. Hu and T. S. Dibble. J. Phys. Chem. A 2013, 117, 14230–42.


Thermodynamics of reactions of ClHg and BrHg radicals with atmospherically abundant free radicals. T. S. Dibble, M. J. Zelie, and H. Mao. Atmos. Chem. Phys. 2012, 15, 17887-17911.

Cis-trans isomerization of chemically activated 1-methylallyl radical and fate of the resulting 2-buten-1-peroxy radical. T. S. Dibble, Y. Sha, W. F. Thornton, and F. Zhang. J. Phys. Chem. A 2012, 116, 7603–7614.

Temperature-Dependent Branching Ratios of Deuterated Methoxy Radicals (CH2DO•) Reacting With O2. H. Hu, T. S. Dibble, G. S. Tyndall, and J. J. Orlando. J. Phys. Chem. A 2012, 116, 6295–6302.


Impact of tunneling on hydrogen-migration of the n-propylperoxy radical. F. Zhang and T. S. Dibble, Phys. Chem. Chem. Phys., 13, 17969-77.

Effects of Olefin Group and Its Position on the Kinetics for Intramolecular H-Shift and HO2 Elimination of Alkenyl Peroxy Radicals. F. Zhang and T. S. Dibble, J. Phys. Chem. A, 115, 655-63.

Understanding OH Yields in Electron Beam Irradiation of Humid N2. K. L. Schmitt and T. S. Dibble. Plasma Chem. Plasma Proc., 31, 41-50.


Potential energy profiles for the N + HOCO reaction and products of the chemically activated reactions N + HOCO and H + HOCO . T. S. Dibble and Y. Zeng. Chemical Physics Letters, 495, 170-4.

Atmospheric chemistry of isopropyl formate and tert-butyl formate. A. S. Pimentel, G. S. Tyndall, J. J. Orlando, et al., International Journal of Chemical Kinetics, 42, 479-498.


a Consistent Chemical Kinetic Model of Electron Beam Irradiation of Humid
. K. L. Schmitt, D. M. Murray, and T. S. Dibble. Plasma Chemistry and
Plasma Processing
, 29, 347-362.

diagnostics of a low power—low gas flow rates atmospheric-pressure argon plasma
created by a microwave plasma torch
. C. Wang, N. Srivastava, S. Scherrer,
P.-R. Jang, T. S. Dibble and Y. Duan. Plasma Sources Science and Technology, 18, 025030.

A study of OH radicals in an atmospheric AC discharge plasma using near infrared
diode laser cavity ringdown spectroscopy combined with optical emission
. N. Srivastava, C. Wang, and T.S. Dibble. European Journal
of Physics D
, 54, 77-86.

Observation and quantification of OH radicals in the far downstream part of an atmospheric microwave plasma jet using cavity ringdown spectroscopy. C. Wang, N.
Srivastava, and T. S. Dibble. Applied Physics Letters, 95, 051501.


Failures and limitations of quantum chemistry for two key problems in the atmospheric
chemistry of peroxy radicals
. T. S. Dibble. Atmos. Environ., 42, 5837-48.


Computational Studies of Intramolecular Hydrogen Atom Transfers in the β-Hydroxyethylperoxy and β-Hydroxyethoxy Radicals. K. T. Kuwata, T. S. Dibble, E. Sliz, and E. B. Petersen. J. Phys. Chem. A, 111, 5032-42.

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