Search for dissertations about: "Mats H M Olsson"

Found 1 swedish dissertation containing the words Mats H M Olsson.

  1. 1. Theoretical studies of blue copper proteins

    Author : Mats H M Olsson; Teoretisk kemi; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; quantum chemistry; metal-thiolate bonds; axial ligation; electron transfer proteins; reduction potential; reorganisation energy; Cu II ; Cu I ; strain; Induced-rack theory; Entatic state theory; cytochrome c oxidase; CuA; nitrite reductase; azurin; Blue copper proteins; plastocyanin; B3LYP; CASPT2; Soil Science; agricultural hydrology; Lantbrukshydrologi; marklära;

    Abstract : In this thesis, a critical investigation is presented about the role of mechanical strain for the electron-transfer properties of the blue copper proteins. It has been found that the structure of a realistic model complex of the oxidised blue-copper active site, optimised in vacuum with the B3LYP method, has the same trigonal cupric geometry as in the protein. READ MORE