Search for dissertations about: "Chemical shift calculations"
Showing result 21 - 25 of 37 swedish dissertations containing the words Chemical shift calculations.
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21. Low-coordinate Organosilicon Chemistry : Fundamentals, Excursions Outside the Field, and Potential Applications
Abstract : This thesis reports on unsaturated silicon compounds, as well as excursions from these into germanium chemistry, single molecule electronics, and silyl protective group chemistry. Both experimental and computational investigations were performed. READ MORE
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22. Probing Paramagnetic Systems by Solid-State NMR Spectroscopy
Abstract : Paramagnetic systems have a wide range of applications ranging from energy storage or conversion to catalytic processes, metalloproteins and light-emitting materials. Over the recent years nuclear magnetic resonance (NMR) spectroscopy has become an established tool for studying the structural and electronic properties of these systems, largely because it can provide a link between the structure and the bulk properties. READ MORE
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23. Surface reactions in aqueous suspensions of fluorapatite and iron oxides
Abstract : The main objectives have been to study and model surface reactions of aqueous suspen-sions of minerals with relevance to the dephosphorization of iron oxides by reverse froth flotation. Synthetic hematite, maghemite and fluorapatite in colloidal forms were prepared and thoroughly characterized using XRD, SEM, BET, FT-IR and FT-Raman. READ MORE
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24. Characterising Weak Interactions in Solution. : An NMR Spectroscopic Approach
Abstract : Detecting and characterising weak interactions in dilute solutions is challenging. This thesis focusses on the development of a new NMR spectroscopic strategy to do so, whilst also investigates a newly proposed type of weak interaction in solution with currently available NMR techniques. READ MORE
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25. Geometrical Structure, Phase Diagrams, and Core-Level Binding Energiesof Metal Surfaces: Calculations, Simulations, and Experiments
Abstract : This thesis concerns clean and adsorbate covered metal surfaces and surface alloys. These systems have been studied using theoretical and experimental methods. In the first part of the thesis, the different techniques that have been utilized in this work are presented, and the included publications are summarized. READ MORE