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
  • 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

  • Low frequency (<500 cm^-1) contribution to greenhouse gas radiative efficiency.  Molecular Physics: An International Journal at the Interface Between Chemistry and Physics. 2024