Sökning: "Sam de Visser"

Hittade 1 avhandling innehållade orden Sam de Visser.

1. 1. Reaction Mechanisms of Metalloenzymes and Synthetic Model Complexes Activating Dioxygen : A Computational study

   Författare :Valentin Georgiev; Per E.M. Siegbahn; Sam de Visser; Stockholms universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; catalysis; density functional theory; extradiol; intradiol; dioxygenases; oxygen; biomimetic complexes; heme; spin transition; adipic acid; Chemical physics; Kemisk fysik; kvantkemi; Quantum Chemistry;

   Sammanfattning : Quantum chemistry has nowadays become a powerful and efficient tool that can be successfully used for studies of biosystems. It is therefore possibleto model the enzyme active-site and the reactions undergoing into it, as well as obtaining quite accurate energetic profiles. LÄS MER