functional theory method at the M06-2X level of theory. All thermodynamic and kinetic parameters of oxygen atom transfer in H2O2 to the selenium center of the GPx mimic was calculated. The oxidation reaction of GPx mimic by H2O2 was investigated
at 298...

The mechanism of reduction of the hydrogen peroxide by glutathione peroxidase mimic (GPx) were
investigated by density functional theory (DFT) method at the M06-2X/6-31+G(d,p) level of theory. Thermodynamic and kinetic ...