Search for dissertations about: "Theoretical chemistry"
Showing result 21 - 25 of 620 swedish dissertations containing the words Theoretical chemistry.
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21. Low temperature CO oxidation over Pt/CeO2
Abstract : The oxidation of CO to CO2 is a widely studied reaction not only for its practical applications but also for its apparent simplicity. CO oxidation is, in fact, often used as a model reaction for other oxidation reactions. READ MORE
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22. Unlocking the potential of a caged star: Thermoelectric quaternary clathrates
Abstract : Heat losses are an inevitable consequence of any energy conversion process, dictated by the second law of thermodynamics. This not only leads to an eternal struggle, via the pursuit of maximal efficiency, it also undermines our efforts to solve the two issues that pose the most significant challenges to modern society: climate change and the worlds surging energy need. READ MORE
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23. Hydration of oxo anions : a combined computational and experimental structure and dynamics study in aqueous solutions
Abstract : The structure and dynamics of several hydrated oxo anions were studied using multiple methodologies. Aqueous solutions of sulfate, sulfite, thiosulfate, peroxysulfate, selenite, selenate, hypochlorite, chlorite, chlorate, perchlorate, bromate, iodate and periodate salts were studied using large angle X-ray scattering (LAXS) and extended X-ray absorption fine structure (EXAFS) spectroscopy. READ MORE
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24. Kinetics of Nanoparticle Catalysis from First Principles
Abstract : Modern society depends heavily on heterogeneous catalysis, which creates strong economical and environmental incentives to improve catalyst efficiency. Heterogeneous catalysts are often realized as metal nanoparticles (NPs) supported on oxide surfaces, and catalysts are traditionally developed by trial and error approaches. READ MORE
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25. Methane oxidation over palladium oxide: From electronic structure to catalytic conversion
Abstract : .... READ MORE