selected publications
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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