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NMR crystallography of pharmaceutical solids
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Candy, Gemma Marie (2018) NMR crystallography of pharmaceutical solids. PhD thesis, University of Warwick.
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WRAP_Theses_Candy_2018.pdf - Submitted Version - Requires a PDF viewer. Download (19Mb) | Preview |
Official URL: http://webcat.warwick.ac.uk/record=b3443080~S1
Abstract
High resolution 1H Magic Angle Spinning (MAS) NMR is a sensitive probe of hydrogen chemistry, in particular hydrogen bonds, which often govern packing arrangements of crystalline systems of organic solids. This thesis uses experimental solid-state NMR together with DFT-based GIPAW (Gauge-Including Projector Augmented Wave) calculations in an approach referred to as NMR crystallography to study pharmaceutical salts and cocrystals.
A study of nitrogen sites in two salt/cocrystal systems, first: isonicotinamide/ 2,4,6- trihydroxybenzoate salt (1-NH+:2-COO
Item Type: | Thesis (PhD) | ||||
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Subjects: | Q Science > QC Physics Q Science > QD Chemistry R Medicine > RS Pharmacy and materia medica T Technology > TA Engineering (General). Civil engineering (General) |
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Library of Congress Subject Headings (LCSH): | Pharmaceutical chemistry, Crystallography, Nuclear magnetic resonance, X-ray diffraction imaging | ||||
Official Date: | December 2018 | ||||
Dates: |
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Institution: | University of Warwick | ||||
Theses Department: | Department of Physics | ||||
Thesis Type: | PhD | ||||
Publication Status: | Unpublished | ||||
Supervisor(s)/Advisor: | Brown, Steven P. | ||||
Sponsors: | GlaxoSmithKline | ||||
Format of File: | |||||
Extent: | iv, 238 leaves : illustrations, charts | ||||
Language: | eng |
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