Cong Jia

Quantum Chemical Insights Into Glycine-Mediated Stepwise Transformation of Halobenzoquinones.

Halobenzoquinones (HBQs) are emerging toxic disinfection byproducts widely present in drinking water. Although their reactions with amino acids have been reported, the detailed stepwise mechanisms remain unclear. Herein, density functional theory (DFT) was employed to systematically explore the transformation of HBQs b...