Search for dissertations about: "QTCP"

Found 1 swedish dissertation containing the word QTCP.

  1. 1. Reaction mechanism of metalloenzymes studied by theoretical methods

    University dissertation from Lund University, Faculty of Science, Department of Chemistry, Division of Theoretical Chemistry

    Author : Geng Dong; Lunds universitet.; Lund University.; [2018-05]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Metalloenzymes; Reaction mechanism; QM MM; DFT; DMRG; CAS-srDFT; Big-QM; QTCP;

    Abstract : Metalloenzymes are proteins that contain one or more metal ions bound to protein. They constitute about one-third of all enzymes known so far and they often perform hard chemical reactions involving small substrates, like H2 and N2. In our research, we focus on those metal ions that are located in the active sites and perform redox reactions, i.e. READ MORE