
In this study, the ground state structure and CT transition of the complex formed by the reaction of hydrogen peroxide (H2O2) with the five antibiotics (TMP, NOR, OFL, CIP, and SMR) were theoretically investigated by density functional theory (DFT).

In this study, the ground state structure and CT transition of the complex formed by the reaction of hydrogen peroxide (H2O2) with the five antibiotics (TMP, NOR, OFL, CIP, and SMR) were theoretically investigated by density functional theory (DFT).