Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 5 of 5 for “"NMR crystallography"”.
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Crystallography of Pharmaceuticals: Ways to improve efficiency and assessing the fragment-based approach for enhanced polymorph discrimination
Nuclear magnetic resonance (NMR) crystallography is an emerging method that combines experimental and computational data to perform various characterization tasks, such as structure determination, validation, and refinement. NMR crystallography can be used to determine the crystal structures of …
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NMR, Crystallographic and Quantum Chemical Studies of Metalloproteins and Bisphosphonate Inhibitors
… models to predict nuclear magnetic resonance (NMR) and Mossbauer spectroscopic properties in heme proteins and model systems by using quantum chemical techniques. This work includes density functional theory investigations of the 1H, 13C, 15N and 19F NMR hyperfine shifts, Mossbauer electric …
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Octacalcium Phosphate - Metabolite Composites: model compounds for bone mineral structure
… the theoretical foundations of solid-state NMR spectroscopy, which is the primary analytical method employed in this study, followed by specific experimental techniques that have been used in this work. Chapter 3 described the characterisation of seven different OCP-metabolite composites …
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Investigating the Generation and Reaction of Organoaluminiums in Marine Container Refrigeration Systems
The unexpected presence of chloromethane in marine container refrigeration systems has led to multiple explosions reported around the world. This is thought to occur due to the generation of methylaluminium chlorides, from the reaction of aluminium with chloromethane, which can then react with the …
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Atomic and Electronic Structure of Complex Metal Oxides during Electrochemical Reaction with Lithium
Lithium-ion batteries have transformed energy storage and technological applications. They stand poised to convert transportation from combustion to electric engines. The discharge/charge rate is a key parameter that determines battery power output and recharge time; typically, operation is on the …