Sökning: "Fahmi Himo"

Visar resultat 16 - 18 av 18 avhandlingar innehållade orden Fahmi Himo.

  1. 16. Quantum chemical modeling of enzymatic reactions : applications to the tautomerase superfamily

    Författare :Robin Sevastik; Fahmi Himo; Margaretha Blomberg; KTH; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Bioengineering; Bioteknik;

    Sammanfattning : In this thesis, quantum chemical methods are used to investigate enzymatic reaction mechanisms. The Density functional theory, in particular the hybrid B3LYP functional, is used to model two enzymes belonging to the tautomerase superfamily; 4-Oxalocrotonate Tautomerase (4-OT) and cis-Chloroacrylic Acid Dehalogenase (cis-CAAD). LÄS MER

  3. 17. Modeling of methyl transfer reactions in S-Adenosyl-L-Methionine dependent enzymes

    Författare :Polina Velichkova; Fahmi Himo; Margareta Blomberg; KTH; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Theoretical chemistry; Teoretisk kemi;

    Sammanfattning : A very important trend for studying biomolecules is computational chemistry. In particular, nowadays it is possible to use theoretical methods to figure out the catalytic mechanism of enzyme reactions. LÄS MER

  4. 18. Theoretical study of light-molecule nonlinear interactions

    Författare :Ke Zhao; Yi Luo; Fahmi Himo; Valdas Pasiskevicius; KTH; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Bioengineering; Bioteknik;

    Sammanfattning : The work presented in the thesis concerned theoretical study of light-matter nonlinear interactions. Two important aspects of such interactions have been examined, namely the nonlinear optical properties of a series of organic charge transfer molecules in solutions induced by the laser light and the propagation of the ultrafast high power laser through the nonlinear molecular medium. LÄS MER