Glutathione peroxidase-like activity of functionalised tellurides: insight into oxidation mechanisms through activation strain analysis

In this Thesis, fundamental aspects of the reactivity of selected functionalised chalcogenides were investigated via an in silico approach. The analyses have been conducted within the framework of the Kohn-Sham Density Functional Theory (DFT) and the Activation Strain Analysis (ASA). Several organo-tellurides were considered, on the basis of experimental observations on their glutathione peroxidase-like activity.