Sökning: "enamine"

Visar resultat 11 - 12 av 12 avhandlingar innehållade ordet enamine.

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

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

   Sammanfattning : 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. LÄS MER

3. 12. Quantum Chemical Studies of Mechanisms and Stereoselectivities of Organocatalytic Reactions

   Författare :Peter Hammar; Hans Ågren; Fahmi Himo; Gregori Ujaque; KTH; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Theoretical chemistry; Teoretisk kemi; Organic chemistry; Organisk kemi;

   Sammanfattning : As the field of organocatalysis is growing, it is becoming more important to understand the specific modes of action of these new organic catalysts. Quantum chemistry, in particular density functional theory, has proven very powerful in exploring reaction mechanisms as well as selectivities in organocatalytic reactions, and is the tool used in this thesis. LÄS MER