Search for dissertations about: "Arianna Bassan"

Found 1 swedish dissertation containing the words Arianna Bassan.

  2. 1. Theoretical studies of mononuclear non-heme iron active sites

    Author : Arianna Bassan; Per E. M. Siegbahn; Sason Shaik; Stockholms universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; quantum chemistry; enzyme catalysis; iron enzymes; Quantum chemistry; Kvantkemi;

    Abstract : The quantum chemical investigations presented in this thesis use hybrid density functional theory to shed light on the catalytic mechanisms of mononuclear non-heme iron oxygenases, accommodating a ferrous ion in their active sites. More specifically, the dioxygen activation process and the subsequent oxidative reactions in the following enzymes were studied: tetrahydrobiopterin-dependent hydroxylases, naphthalene 1,2-dioxygenase and α-ketoglutarate-dependent enzymes. READ MORE