Search for dissertations about: "Edina Rosta"

Found 1 swedish dissertation containing the words Edina Rosta.

2. 1. Quantum Chemical Modelling of Enzymatic and Organometallic Reactions

   Author : Ferran Planas; Fahmi Himo; Edina Rosta; Stockholms universitet; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; DFT; enzyme; organometallic; mechanisms; organisk kemi; Organic Chemistry;

   Abstract : In this thesis, density functional theory (DFT) is employed in the study of two enzymes and two organometallic systems.First, the natural reaction mechanism, as well as the enantioselective formation of α-hydroxyketones catalysed by two thiamine diphosphate (ThDP)- dependent enzymes, namely benzoylformate decarboxylase (BFDC) and 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylic-acid (SEPHCHC)- synthase (MenD), are investigated. READ MORE