Sökning: "H-atom transfer"

Hittade 2 avhandlingar innehållade orden H-atom transfer.

  1. 1. Biomimetic Transition Metal Catalysts : Insights from Theoretical Modeling

    Författare :Adam Johannes Johansson; Per E. M. Siegbahn; Margareta R. A. Blomberg; Per-Ola Norrby; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Catalysis; biomimetic; copper; non-heme iron; heme iron; O2 cleavage; H-atom transfer; radical chemistry; redox chemistry; thermo chemistry; entropy calculations; quantum chemistry; spin states; density functional theory DFT ; self-interaction error SIE .; Chemical physics; Kemisk fysik; kemisk fysik; Chemical Physics;

    Sammanfattning : The scientific interest in the chemistry of synthetic transition metal complexes is motivated by at least two arguments:1.These can be regarded as models of biological transition metal complexes, e.g. metalloenzymes, whose functions can be difficult to reveal in detail due to their complexity. LÄS MER

  3. 2. Functional Models for Non-heme Mononuclear Iron Oxygenases

    Författare :Mainak Mitra; Kemisk fysik; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Bioinorganic chemistry; Iron; Oxygenases; Catalysis;

    Sammanfattning : Non-heme mononuclear iron oxygenases catalyze a large number of oxidation reactions in biological systems. The reactions are often proposed to proceed via the intermediacy of high valent Fe(IV) oxo (ferryl) or, Fe(V) oxo (perferryl) intermediates. LÄS MER