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Number of items: 3.

Smalley, Christopher 2022. Developing structure determination from powder X-ray diffraction data for applications in molecular organic materials. PhD Thesis, Cardiff University.
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Smalley, Christopher, Hoskyns, Harriet E., Hughes, Colan E, Johnstone, Duncan N., Willhammar, Tom, Young, Mark T. ORCID: https://orcid.org/0000-0002-9615-9002, Pickard, Chris J., Logsdail, Andrew J. ORCID: https://orcid.org/0000-0002-2277-415X, Midgley, Paul and Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598 2022. A structure determination protocol based on combined analysis of 3D-ED data, powder XRD data, solid-state NMR data and DFT-D calculations reveals the structure of a new polymorph of L-tyrosine. Chemical Science 13 (18) , pp. 5277-5288. 10.1039/D1SC06467C
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Smalley, Christopher J. H., Logsdail, Andrew J. ORCID: https://orcid.org/0000-0002-2277-415X, Hughes, Colan E., Iuga, Dinu, Young, Mark T. ORCID: https://orcid.org/0000-0002-9615-9002 and Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598 2022. Solid-state structural properties of alloxazine determined from powder XRD data in conjunction with DFT-D calculations and solid-state NMR spectroscopy: unraveling the tautomeric identity and pathways for tautomeric interconversion. Crystal Growth and Design 22 (1) , pp. 524-534. 10.1021/acs.cgd.1c01114
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