Search for dissertations about: "bond energy"

Showing result 21 - 25 of 230 swedish dissertations containing the words bond energy.

2. 21. Quantum Chemical Studies of Diamond for Energy Related Applications

   Author : Yang Song; Karin Larsson; Kim Bolton; Uppsala universitet; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; Diamond; surface; graphene; terminations; doping; functionalization; Chemistry with specialization in Inorganic Chemistry; Kemi med inriktning mot oorganisk kemi;

   Abstract : Diamond is a unique material with excellent properties. As a result of the development within the area of CVD synthesis, doping and surface functionalization, diamond has become a strong candidate for use in electrochemical, electronic and biomedical applications. READ MORE

4. 22. Characterisation of green-glued wood adhesive bonds

   Author : Magdalena Sterley; Erik Serrano; Hans Petersson; Klaus Richter; Linnéuniversitetet; []
   Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; green gluing; finger jointing; durability; shear strength; wood failure percentage; fracture energy; tensile strength; PUR adhesive; Byggteknik; Civil engineering;

   Abstract : The gluing of unseasoned wood, called green gluing, is a relatively new sawmill process, implying a radically changed order of material flow in the production of value-added wood-based products. It facilitates the enhancement of raw material recovery and value yield by integrating defect elimination and gluing already before kiln drying. READ MORE

5. 23. Trapping Tyrosine Z : Exploring the Relay between Photochemistry and Water Oxidation in Photosystem II

   Author : Johannes Sjöholm; Stenbjörn Styring; Fikret Mamedov; A. William Rutherford; Uppsala universitet; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Photosystem II; Tyrosine Z; EPR; proton-coupled electron transfer; hydrogen bond; pH;

   Abstract : Photosystem II is unique! It remains the only enzyme that can oxidize water using light as energy input. Water oxidation in photosystem II is catalyzed by the CaMn4 cluster. The electrons extracted from the CaMn4 cluster are transferred to P680+ via the tyrosine residue D1-Tyr161 (YZ). READ MORE

6. 24. Regulation of Proton Coupled Electron Transfer from Amino Acids in Artificial Model Systems: A Mechanistic Study

   Author : Martin Sjödin; Leif Hammarström; Jan Davidsson; G. Daniel Nocera; Uppsala universitet; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; Physical chemistry; Proton Coupled Electron Transfer; Tyrosine; Tryptophan; Electron Transfer; Hydrogen bond; Photosystem II; Proton transfer; Radical protein; Fysikalisk kemi; Physical chemistry; Fysikalisk kemi;

   Abstract : Amino acid radicals are key redox intermediates in several natural enzymes including Cytochrome c peroxidase, DNA photolyase, ribonucletide reductase, cytochrome c oxidase and photosystem II. Electron transfer from amino acids is often coupled to deprotonation and this thesis concerns the coupling of electron transfer from tyrosine and tryptophan to trisbipyridineruthenium(III) with deprotonation in model complexes. READ MORE

7. 25. Theoretical studies of blue copper proteins

   Author : Mats H M Olsson; Beräkningskemi; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; quantum chemistry; metal-thiolate bonds; axial ligation; electron transfer proteins; reduction potential; reorganisation energy; Cu II ; Cu I ; strain; Induced-rack theory; Entatic state theory; cytochrome c oxidase; CuA; nitrite reductase; azurin; Blue copper proteins; plastocyanin; B3LYP; CASPT2; Soil Science; agricultural hydrology; Lantbrukshydrologi; marklära;

   Abstract : In this thesis, a critical investigation is presented about the role of mechanical strain for the electron-transfer properties of the blue copper proteins. It has been found that the structure of a realistic model complex of the oxidised blue-copper active site, optimised in vacuum with the B3LYP method, has the same trigonal cupric geometry as in the protein. READ MORE