Nmr phd thesis
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NMR studies of fluoropolymers and of polyaniline
nmr phd thesis JavaScript is disabled for your browser. Some features of this site may not work without it. Characterisation of inorganic materials using solid-state NMR spectroscopy.
Supervisor Ashbrook, Sharon E. Metadata Show full item record.
SeRMN – NMR Service at UAB
Abstract This thesis uses solid-state nuclear magnetic resonance NMR spectroscopy and density functional theory DFT calculations to study local structure and disorder in inorganic materials. Initial work concerns microporous aluminophosphate frameworks, where the importance of semi-empirical nmr phd thesis nmr phd thesis SEDC schemes nmr phd thesis structural optimisation using DFT is evaluated.
These schemes click at this page structures in better agreement with experimental nmr phd thesis measurements, but very nmr phd thesis NMR parameters are obtained for any structures where the atomic coordinates are optimised, owing to nmr phd thesis similarity of the local geometry.
In subsequent work, a range of zeolitic imidazolate frameworks ZIFs are investigated.
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The dissertation is focused on the development of modern NMR methodologies for the measurement of homo- and heteronuclear coupling constants in small molecules, and is presented as a compendium of eight 8 publications that have been published in several peer-reviewed journals as original research papers. The starting point was the previous experience and knowledge of our research group in that topic. In most of the cases the IPAP methodology has been used to achieve an accurate measurement.
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