Search for dissertations about: "O2 cleavage"

Found 5 swedish dissertations containing the words O2 cleavage.

2. 1. Biomimetic Transition Metal Catalysts : Insights from Theoretical Modeling

   Author : Adam Johannes Johansson; Per E. M. Siegbahn; Margareta R. A. Blomberg; Per-Ola Norrby; Stockholms universitet; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; Catalysis; biomimetic; copper; non-heme iron; heme iron; O2 cleavage; H-atom transfer; radical chemistry; redox chemistry; thermo chemistry; entropy calculations; quantum chemistry; spin states; density functional theory DFT ; self-interaction error SIE .; Chemical physics; Kemisk fysik; kemisk fysik; Chemical Physics;

   Abstract : The scientific interest in the chemistry of synthetic transition metal complexes is motivated by at least two arguments:1.These can be regarded as models of biological transition metal complexes, e.g. metalloenzymes, whose functions can be difficult to reveal in detail due to their complexity. READ MORE

4. 2. Engineering of the Ultra-stable Cystine Knot Framework of Microproteins : Design, Chemical Synthesis and Structural Studies

   Author : Teshome Leta Aboye; Ulf Göransson; Julio A. Camarero; Uppsala universitet; []
   Keywords : MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; cyclotides; cystine knot; protein engineering; NMR; solid phase; disulfide rich; ultra-stable; microprotein; PHARMACY; FARMACI; Medicinal Chemistry; Läkemedelskemi;

   Abstract : Ultra-stable cystine knotted microproteins, in which two disulfides and their connecting backbones form a circle that is penetrated by the third disulfide bonds, have attracted high interest due to their resistance to degradation in vitro and potential for the development of peptide drugs. This thesis gives new insights into engineering of that framework of microproteins, including approaches to their chemical synthesis, backbone engineering, structural and biological evaluations. READ MORE

5. 3. Reaction mechanism of metalloenzymes studied by theoretical methods

   Author : Geng Dong; Beräkningskemi; []
   Keywords : 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

6. 4. Development of Graphitic Carbon Nitride based Semiconductor Photocatalysts for Organic Pollutant Degradation

   Author : Jing Wang; Pär Jönsson; Anders Palmqvist; KTH; []
   Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; graphitic carbon nitride; visible light-driven photocatalyst; staggered band alignment; electron-hole pair separation; band edge position; Materials Science and Engineering; Teknisk materialvetenskap;

   Abstract : As a potential solution to the global energy and environmental pollution, design and synthesis of artificial photocatalysts with high activities have attracted increasing scientific interests worldwide. In recent years, the graphitic carbon nitride (g-C3N4) has shown new possible applications in the photocatalytic field due to its unique properties. READ MORE

7. 5. NH3-SCR chemistry for NOx abatement: Influence of zeolite support on N2O formation & phosphorus species addition

   Author : Joonsoo Han; Chalmers tekniska högskola; []
   Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Copper; NH3 SCR chemistry; Zeolite topology; N2O; Phosphorus poisoning;

   Abstract : Different lattice arrangements of Si, Al, and O atoms result in a variety of pore dimensions and zeolite channel network systems, giving rise to different physicochemical environments inside the catalyst cage. The objective of the thesis work was to understand the influence of zeolite topology on NH3-assisted SCR chemistry over CHA, MFI, and BEA frameworks, on the formation of N2O and the addition of phosphorus species to attain fundamental insight into NOx emission control. READ MORE