Publications by authors named "Theodore S Dibble"

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Quantum Chemistry to Support Photoionization Mass Spectrometry Studies of Atmospheric Mercury Compounds.
Theodore S Dibble, Kwonmuang T Thanthima, Elliot M O'Connell

J Am Soc Mass Spectrom· August 2025

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Atmospheric Chemistry of HOHgO Mimics That of a Hydroxyl Radical.
Darshi T Hewa Edirappulige, Ilena J Kirby, Camille K Beckett, Theodore S Dibble

J Phys Chem A· October 2023

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Together, Not Separately, OH and O Oxidize Hg to Hg in the Atmosphere.
Pedro J Castro, Vladimir Kellö, Ivan Cernušák, Theodore S Dibble

J Phys Chem A· November 2022

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Combined Experimental and Computational Kinetics Studies for the Atmospherically Important BrHg Radical Reacting with NO and O.
Rongrong Wu, Pedro J Castro, Cameron Gaito, Kyle Beiter, Theodore S Dibble

J Phys Chem A· June 2022

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Improved Mechanistic Model of the Atmospheric Redox Chemistry of Mercury.
Viral Shah, Daniel J Jacob, Colin P Thackray, Xuan Wang, Elsie M Sunderland, Theodore S Dibble

Environ Sci Technol· November 2021

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Theoretical Study of the Monohydration of Mercury Compounds of Atmospheric Interest.
Sonia Taamalli, Michal Pitoňák, Theodore S Dibble, Ivan Černušák, Florent Louis

J Phys Chem A· July 2021

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Modeling the OH-Initiated Oxidation of Mercury in the Global Atmosphere without Violating Physical Laws.
Theodore S Dibble, Hanna L Tetu, Yuge Jiao, Colin P Thackray, Daniel J Jacob

J Phys Chem A· January 2020

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BrHgO + CH and BrHgO + HCHO in Atmospheric Oxidation of Mercury: Determining Rate Constants of Reactions with Prereactive Complexes and Bifurcation.
Khoa T Lam, Curtis J Wilhelmsen, Theodore S Dibble

J Phys Chem A· July 2019

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Computational Study on the Photolysis of BrHgONO and the Reactions of BrHgO with CH, CH, NO, and NO: Implications for Formation of Hg(II) Compounds in the Atmosphere.
Khoa T Lam, Curtis J Wilhelmsen, Abraham C Schwid, Yuge Jiao, Theodore S Dibble

J Phys Chem A· February 2019

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Correction: Comment on "Isomerization of the methoxy radical revisited: the impact of water dimers" by B. Bandyopadhyay et al., Phys. Chem. Chem. Phys., 2016, 18, 27728 and "Isomerization of methoxy radical in the troposphere: competition between acidic, neutral and basic catalysts" by P. Kumar, B. Bandyopadhyay et al., Phys. Chem. Chem. Phys., 2017, 19, 278.
Theodore S Dibble

Phys Chem Chem Phys· May 2018

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Comment on "Isomerization of the methoxy radical revisited: the impact of water dimers" by B. Bandyopadhyay et al., Phys. Chem. Chem. Phys., 2016, 18, 27728 and "Isomerization of methoxy radical in the troposphere: competition between acidic, neutral and basic catalysts" by P. Kumar, B. Bandyopadhyay et al., Phys. Chem. Chem. Phys., 2017, 19, 278.
Theodore S Dibble

Phys Chem Chem Phys· April 2018

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Structures, Vibrational Frequencies, and Bond Energies of the BrHgOX and BrHgXO Species Formed in Atmospheric Mercury Depletion Events.
Yuge Jiao, Theodore S Dibble

J Phys Chem A· October 2017

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First kinetic study of the atmospherically important reactions BrHg˙ + NO and BrHg˙ + HOO.
Yuge Jiao, Theodore S Dibble

Phys Chem Chem Phys· January 2017

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Quality Structures, Vibrational Frequencies, and Thermochemistry of the Products of Reaction of BrHg(•) with NO2, HO2, ClO, BrO, and IO.
Yuge Jiao, Theodore S Dibble

J Phys Chem A· October 2015

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Quantum Chemical Study of Autoignition of Methyl Butanoate.
Yuge Jiao, Feng Zhang, Theodore S Dibble

J Phys Chem A· July 2015

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Quantum chemistry guide to PTRMS studies of as-yet undetected products of the bromine-atom initiated oxidation of gaseous elemental mercury.
Theodore S Dibble, Matthew J Zelie, Yuge Jiao

J Phys Chem A· September 2014

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Rate constants and kinetic isotope effects for methoxy radical reacting with NO2 and O2.
Jiajue Chai, Hongyi Hu, Theodore S Dibble, Geoffrey S Tyndall, John J Orlando

J Phys Chem A· May 2014

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Quantum chemistry, reaction kinetics, and tunneling effects in the reaction of methoxy radicals with O(2).
Hongyi Hu, Theodore S Dibble

J Phys Chem A· December 2013

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Cis-trans isomerization of chemically activated 1-methylallyl radical and fate of the resulting 2-buten-1-peroxy radical.
Theodore S Dibble, Yuan Sha, William F Thornton, Feng Zhang

J Phys Chem A· July 2012

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Temperature-dependent branching ratios of deuterated methoxy radicals (CH2DO•) reacting with O2.
Hongyi Hu, Theodore S Dibble, Geoffrey S Tyndall, John J Orlando

J Phys Chem A· June 2012

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Impact of tunneling on hydrogen-migration of the n-propylperoxy radical.
Feng Zhang, Theodore S Dibble

Phys Chem Chem Phys· October 2011

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Effects of olefin group and its position on the kinetics for intramolecular H-shift and HO2 elimination of alkenyl peroxy radicals.
Feng Zhang, Theodore S Dibble

J Phys Chem A· February 2011

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Computational studies of intramolecular hydrogen atom transfers in the beta-hydroxyethylperoxy and beta-hydroxyethoxy radicals.
Keith T Kuwata, Theodore S Dibble, Emily Sliz, Erin B Petersen

J Phys Chem A· June 2007

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Absorption cross-sections of the C-h overtone of volatile organic compounds: 2 methyl-1,3-butadiene (isoprene), 1,3-butadiene, and 2,3-dimethyl-1,3-butadiene.
Pawel Cias, Chuji Wang, Theodore S Dibble

Appl Spectrosc· February 2007

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Laser-induced fluorescence spectra of 4-methylcyclohexoxy radical and perdeuterated cyclohexoxy radical and direct kinetic studies of their reactions with O2.
Lei Zhang, Karen M Callahan, Dean Derbyshire, Theodore S Dibble

J Phys Chem A· October 2005

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