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; [2018-05]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Metalloenzymes; Reaction mechanism; QM MM; DFT; DMRG; CAS-srDFT; Big-QM; QTCP;

    Abstract : Metalloenzymes catalyse a wide variety of reactions in nature. In the thesis, I have studied the reaction mechanism of three metalloenzymes, viz. READ MORE