homolytic oxidative coupling

A Quantum Chemical Substantiation of the Intermediate Nature and Regioselectivity of Homolytic Oxidative Coupling of L-cysteine

A quantum chemical substantiation of the intermediate (thiyl radical) nature and reaction regioselectivity (S,S-coupling) of the L-cysteine homolytic oxidative dimerization resulting by the L-cystine formation has been carried out. The electrostatic factor does not prevent the reaction occurrence.