Search for dissertations about: "paramagnetic molecules"
Showing result 1 - 5 of 25 swedish dissertations containing the words paramagnetic molecules.
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1. Elastic and inelastic scattering effects in conductance measurements at the nanoscale : A theoretical treatise
Abstract : Elastic and inelastic interactions are studied in tunnel junctions of a superconducting nanoelectromechanical setup and in response to resent experimental superconducting scanning tunneling microscope findings on a paramagnetic molecule. In addition, the electron density of molecular graphene is modeled by a scattering theory approach in very good agreement with experiment. READ MORE
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2. Probing Dynamics of Oligosaccharides by Interference Phenomena in NMR Relaxation
Abstract : Oligosaccharides (carbohydrates) are a large class of biological molecules that are important as energy sources in the human body and have enormously varied biological functions. It is generally believed that biological activities of carbohydrates are related to their internal dynamics. READ MORE
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3. Theoretical Studies on Magnetic and Photochemical Properties of Organic Molecules
Abstract : The present thesis is concerned with the theoretical studies on magnetic and photochemical properties of organic molecules. The ab initio and first principles theories were employed to investigate the vibrational effects on the isotropic hyperfine coupling constant (HFCC) known as the critical parameter in electron paramagnetic resonance spectrum, the theoretical simulations of the vibronically resolved molecular spectra, the photo-induced reaction mechanism of α-santonin and the spin-forbidden reaction of triplet-state dioxygen with cofactor-free enzyme. READ MORE
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4. Density functional studies of EPR and NMR parameters of paramagnetic systems
Abstract : Experimental methods based on the magnetic resonance phenomenon belong to the most widely used experimental techniques for investigations of molecular and electronic structure. The difficulty with such experiments, usually a proper interpretation of data obtained from high-resolution spectra, opens new challenges for pure theoretical methods. READ MORE
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5. Taming the Griffin : Membrane interactions of peripheral and monotopic glycosyltransferases and dynamics of bacterial and plant lipids in bicelles
Abstract : Biological membranes form a protective barrier around cells and cellular compartments. A broad range of biochemical processes occur in or at membranes demonstrating that they are not only of structural but also of functional importance. One important class of membrane proteins are membrane-associated glycosyltransferases. READ MORE