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Showing result 1 - 5 of 411 swedish dissertations matching the above criteria.

  2. 1. Redox Reactions of NO and O2 in Iron Enzymes : A Density Functional Theory Study

    Author : Mattias Blomberg; Per Siegbahn; Adrian Mulholland; Stockholms universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; enzyme catalysis; redox reactions; cytochrome oxidase; nitric oxide reductase; hyponitrous acid anhydride; peroxynitrite; myoglobin; prostaglandin synthase; PGHS; NO; N2O; O2; CO; Chemical physics; Kemisk fysik;

    Abstract : In the present thesis the density functional B3LYP has been used to study reactions of NO and O2 in redox active enzymes.Reduction of nitric oxide (NO) to nitrous oxide (N2O) is an important part in the bacterial energy conservation (denitrification). READ MORE

  4. 2. High (valent) on O2 : Ribonucleotide Reductase and Methane Monooxygenase

    Author : Juliane John; Martin Högbom; Pål Stenmark; Peter Moody; Stockholms universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Ribonucleotide Reductase; Methane Monooxygenase; biokemi; Biochemistry;

    Abstract : Macromolecular X-ray crystallography (MX) is a powerful method to investigate protein structures. However, proteins with redox-active centres and radicals are very susceptible to photoreduction. READ MORE

  5. 3. Quantum mechanical studies of ionization and electron transfer in diatomic systems : O2 and H+ + H-

    Author : Michael Stenrup; Hans Ågren; KTH; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Biochemistry; Biokemi;

    Abstract :   The present thesis is based upon two papers concerning the core-valence double onization of molecular oxygen and mutual neutralization of H+ and H- ions at low collision energies. The former of these processes has been studied for the first time using a magnetic bottle time-of-ight electron coincidence spectrometer in combination with ab initio electronic structure calculations. READ MORE

  6. 4. The O2 electrode performance in the Li-O2 battery

    Author : Jia Liu; Jiefang Zhu; Kristina Edström; Poul Norby; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Li-oxygen battery; X-ray irradiation; Electrocatalyst; Synchrotron radiation powder X-ray diffraction; Time-resolved kinetics; Binder-free cathode; Bird’s nest microstructure.;

    Abstract : Li-O2 batteries have been attracting increasing attention and R&D efforts as promising power sources for electric vehicles (EVs) due to their significantly higher theoretical energy densities compared to conventional Li-ion batteries. The research presented in this thesis covers the investigation of factors influencing the decomposition of Li2O2, the development of highly active electrocatalysts, and the design of low-cost and easy-operation binder-free O2 electrodes for Li-O2 batteries. READ MORE

  7. 5. Reactivity of Metal Clusters with Diatomic Molecules

    Author : Lotta Holmgren; Chalmers tekniska högskola; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Nbn; cluster; reactivity; Rhn; NO; D2; CO; N2; laser vaporization; Wn; Nin; photoionization; time-of-flight mass spectrometer; ionization potential; Cun; O2; Vn;

    Abstract : The reactivity of transition-metal clusters, in the approximate size range 10-60 atoms, with diatomic molecules has been investigated. A pulsed beam of neutral clusters is produced by a laser-vaporization source and passed through a low-pressure reaction cell containing the reactive gas. READ MORE