Search for dissertations about: "broken-symmetry state"
Found 5 swedish dissertations containing the words broken-symmetry state.
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1. Core Level Spectroscopy of Water and Ice
Abstract : A core level spectroscopy study of ice and water is presented in this thesis. Combining a number of experiments and spectrum calculations based on density functional theory, changes in the local valence electronic structure are shown to be sensitive to the local H-bonding configurations. READ MORE
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2. Computational Studies of Nitrogenase
Abstract : AbstractNitrogenase is the only enzyme that can convert the inert nitrogen molecule to ammonia, so that it can be used for biomass production and in biosynthetic pathways. It contains a complicated acitve site, composed of eight metal ions, nine sulfur ions and one carbide ion (the FeMo cluster). READ MORE
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3. Theoretical Study of the Electronic Factor in Electron Transfer Reactions
Abstract : The electronic factor D is calculated for a number of organic and biological electron transfer systems. Quantum chemical methods at different levels of accuracy are used: ab initio Hartree-Fock, broken-symmetry, and correlation-corrected methods such as multiconfigurational second-order perturbation theory, and also the semiempirical CNDO/S method for very large systems. READ MORE
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4. Vortex-matter in Multi-component Superconductors
Abstract : The topic of this thesis is vortex-physics in multi component Ginzburg- Landau models. These models describe a newly discovered class of supercon- ductors with multiple superconducting gaps, and posses many properties that set them apart from single component models. READ MORE
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5. Multicomponent superconductivity : Vortex matter and phase transitions
Abstract : The topic of this thesis is vortex-physics in multi component Ginzburg- Landau models. These models describe a newly discovered class of super- conductors with multiple superconducting gaps, and possess many properties that set them apart from single component models. READ MORE