selected publications

• conference proceeding

  • Reaction mechanisms, efficiency, and optimization of reductive transformation of PFASs by hydrated electrons in contaminated groundwater.  ACS National Meeting Book of Abstracts. 2019
  • Role of structure in the reductive defluorination of perfluoroalkyl substances.  ACS National Meeting Book of Abstracts. 2019
  • Oxidation of PFAS with small radical molecules: A theoretical perspective.  ACS National Meeting Book of Abstracts. 2018
  • Reduction of PFAS: A physical organic perspective.  ACS National Meeting Book of Abstracts. 2018
  • Cobalt catalyzed reduction of perfluoroalkyl substances: Reactions and mechanisms.  ACS National Meeting Book of Abstracts. 2018
  • Defluorination of branched per- and polyfluoroalkyl substances with cobalt complex catalysts.  ACS National Meeting Book of Abstracts. 2018
  • Helical nature of perflurochemicals and its implications.  ACS National Meeting Book of Abstracts. 2016
  • Intramolecular transformations in fluorochemicals probed by chemical computations.  ACS National Meeting Book of Abstracts. 2016
  • Mechanistic insights into the adsorption of perfluoroalkyl substances on activated carbon.  ACS National Meeting Book of Abstracts. 2016
  • Perfluorinated alkyl acid degradation mechanisms probed by chemical computations.  ACS National Meeting Book of Abstracts. 2016
  • Using first-principle calculations to tune the superoxide production by 1,2-H-atom shift.  ACS National Meeting Book of Abstracts. 2016
  • Effect of substitution on the rate of benzyloxyl radical generation through a 1,2-Hydrogen atom shift: A computational study.  ACS National Meeting Book of Abstracts. 2015

• journal article

  • Rate Coefficients for the Cl Atom Gas-Phase Reaction With Permethylsiloxanes (PMS): L₂, L₃, L₄, L₅, D₃, D₄, D₅, and D₆.  International Journal of Chemical Kinetics. 213-231. 2025
  • CHF₃ (HFC-23) and CF₃CHO Quantum Yields in the Pulsed Laser Photolysis of CF₃CHO at 248, 266, 281, and 308 nm.  ACS Earth and Space Chemistry . 589-602. 2025
  • Low frequency (<500 cm^-1) contribution to greenhouse gas radiative efficiency.  Molecular Physics: An International Journal at the Interface Between Chemistry and Physics. 2024
  • Ultra-short chain fluorocarboxylates exhibit wide ranging reactivity with hydrated electrons.  Chemosphere. 2023
  • Conformational distributions of helical perfluoroalkyl substances and impacts on stability.  Journal of Computational Chemistry. 1656-1661. 2022
  • Role of Explicit Hydration in Predicting the Aqueous Standard Reduction Potential of Sulfate Radical Anion by DFT and Insight into the Influence of pH on the Reduction Potential.  The Journal of Physical Chemistry A: Isolated Molecules, Clusters, Radicals, and Ions; Environmental Chemistry, Geochemistry, and Astrochemistry; Theory. 1422-1428. 2022
  • Role of pH in the Transformation of Perfluoroalkyl Carboxylic Acids by Activated Persulfate: Implications from the Determination of Absolute Electron-Transfer Rates and Chemical Computations.  Environmental Science and Technology (Washington). 8928-8936. 2021
  • Kinetics and mechanism analysis for the photodegradation of PFOA on different solid particles.  Chemical Engineering Journal. 2020
  • Early Events in the Reductive Dehalogenation of Linear Perfluoroalkyl Substances.  Environmental Science and Technology Letters. 365-371. 2019
  • 1,2-H Atom Rearrangements in Benzyloxyl Radicals.  The Journal of Physical Chemistry A: Isolated Molecules, Clusters, Radicals, and Ions; Environmental Chemistry, Geochemistry, and Astrochemistry; Theory. 492-504. 2019
  • Reductive Defluorination of Branched Per- and Polyfluoroalkyl Substances with Cobalt Complex Catalysts.  Environmental Science and Technology Letters. 289-294. 2018
  • 1,2-Fluorine Radical Rearrangements: Isomerization Events in Perfluorinated Radicals.  The Journal of Physical Chemistry A: Isolated Molecules, Clusters, Radicals, and Ions; Environmental Chemistry, Geochemistry, and Astrochemistry; Theory. 8675-8687. 2017
  • Hydrogenation of aqueous nitrate and nitrite with ruthenium catalysts.  Applied Catalysis B: Environmental. 188-198. 2017
  • Impact of Conjugation and Hyperconjugation on the Radical Stability of Allylic and Benzylic Systems: A Theoretical Study.  Journal of Organic Chemistry. 5731-5742. 2017