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Number of items: 22.

Hughes, Colan E., Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897, Almetahr, Abrar, Saint-Mart, Jessica, Williams, Andrew, Samperisi, Laura and Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598 2025. Solid-state structure of xanthine determined by a combination of 3D electron diffraction, powder x-ray diffraction, and DFT-D calculations. Crystal Growth and Design 25 (4) , pp. 895-902. 10.1021/acs.cgd.4c01717
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Cerreia Vioglio, Paolo, Mollica, Giulia, Juramy, Marie, Hughes, Colan E., Williams, P. Andrew, Ziarelli, Fabio, Viel, Stéphane, Thureau, Pierre and Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598 2018. Insights into the crystallization and structural evolution of glycine dihydrate by in situ solid-state NMR spectroscopy. Angewandte Chemie International Edition 57 (22) , pp. 6619-6623. 10.1002/anie.201801114
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Hughes, Colan Evan, Boughdiri, Ines, Bouakkaz, Clement, Williams, Philip Andrew and Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 2018. Elucidating the crystal structure of DL-Arginine by combined powder X-ray diffraction data analysis and periodic DFT-D calculations. Crystal Growth and Design 18 (1) , pp. 42-46. 10.1021/acs.cgd.7b01412
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Zilka, Miri, Dudenko, Dmytro V, Hughes, Colan, Williams, Philip, Sturniolo, Simone, Franks, W. Trent, Pickard, Chris J., Yates, Jonathan R., Harris, Kenneth ORCID: https://orcid.org/0000-0001-7855-8598 and Brown, Steven P. 2017. Ab initio random structure searching of organic molecular solids: assessment and validation against experimental data. Physical Chemistry Chemical Physics 19 (38) , pp. 25949-25960. 10.1039/C7CP04186A
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Arora, Mallika, Pineda, Sergio, Williams, Philip, Harris, Kenneth ORCID: https://orcid.org/0000-0001-7855-8598 and Kariuki, Benson ORCID: https://orcid.org/0000-0002-8658-3897 2017. Polymorphic adaptation. Presented at: 17th International Conference, CAAD Futures 2017, Istanbul, 12-14 July 2017. Published in: Çağdaş, Gülen, Özkar, Mine, Gül, Leman F. and Gürer, Ethem eds. Future Trajectories of Computation in Design. Istanbul: Istanbul Technical University, pp. 474-491.

Hughes, Colan E., Reddy, G. N. Manjunatha, Masiero, Stefano, Brown, Steven P., Williams, P. Andrew and Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598 2017. Determination of a complex crystal structure in the absence of single crystals: analysis of powder X-ray diffraction data, guided by solid-state NMR and periodic DFT calculations, reveals a new 2'-deoxyguanosine structural motif. Chemical Science 8 (5) , pp. 3971-3979. 10.1039/C7SC00587C
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Harris, Kenneth D.M. ORCID: https://orcid.org/0000-0001-7855-8598, Hughes, Colan, Williams, Philip Andrew and Edwards-Gau, Gregory R. 2017. `NMR Crystallization': in-situ NMR techniques for time-resolved monitoring of crystallization processes. Acta Crystallographica Section C Structural Chemistry C73 (3) , pp. 137-148. 10.1107/S2053229616019811
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Pineda, Sergio, Arora, Mallika, Williams, Philip Andrew, Kariuki, Benson ORCID: https://orcid.org/0000-0002-8658-3897 and Harris, Kenneth David MacLean ORCID: https://orcid.org/0000-0001-7855-8598 2016. The Grammar of crystallographic expression. Presented at: Acadia 2016, Ann Arbor, Michigan, USA, 27-29 October 2016. Acadia 2016 Posthuman Frontiers: Data, Designers, and Cognitive Machines: Projects Catalog of the 36th Annual Conference of the Association for Computer Aided Design in Architecture. Acadia. Ann Arbor: Acadia Publishing Company, pp. 236-243.
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Williams, Philip Andrew, Hughes, Colan Evan, Martin, Jean, Courvoisier, Emilie, Buanz, Asma B. M., Gaisford, Simon and Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 2016. Understanding the solid-state hydration behavior of a common amino acid: identification, structural characterization, and hydration/dehydration processes of new hydrate phases of l-lysine. Journal of Physical Chemistry C 120 (17) , pp. 9385-9392. 10.1021/acs.jpcc.5b12420
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Harris, Kenneth D.M. ORCID: https://orcid.org/0000-0001-7855-8598 and Williams, Philip 2015. Structure determination of organic molecular solids from powder x-ray diffraction data: current opportunities and state of the art. Advances in Organic Crystal Chemistry, Japan: Springer, pp. 141-166. (10.1007/978-4-431-55555-1_8)

Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598, Hughes, Colan Evan and Williams, P. Andrew 2015. Monitoring the evolution of crystallization processes by in-situ solid-state NMR spectroscopy. Solid State Nuclear Magnetic Resonance 65 , pp. 107-113. 10.1016/j.ssnmr.2014.11.004

Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598, Hughes, Colan and Williams, Philip Andrew 2015. In situ solid-state NMR studies of crystallization processes. Advances in Organic Crystal Chemistry , pp. 31-53. 10.1007/978-4-431-55555-1_3

Hughes, Colan E., Williams, P. Andrew and Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598 2014. "Classic NMR": an in-situ NMR strategy for mapping the time-evolution of crystallization processes by combined liquid-state and solid-state measurements. Angewandte Chemie International Edition 53 (34) , pp. 8939-8943. 10.1002/anie.201404266
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Iwama, Sekai, Kuyama, Kazunori, Mori, Yuko, Manoj, Kochunnoonny, Gonnade, Rajesh G., Suzuki, Katsuaki, Hughes, Colan Evan, Williams, Philip Andrew, Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598, Veesler, Stéphane, Takahashi, Hiroki, Tsue, Hirohito and Tamura, Rui 2014. Highly efficient chiral resolution of dl-arginine by cocrystal formation followed by recrystallization under preferential-enrichment conditions. Chemistry - a European Journal 20 (33) , pp. 10343-10350. 10.1002/chem.201402446

Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 and Williams, Philip Andrew 2014. Powder diffraction. Bruce, Duncan W., O'Hare, Dermot and Walton, Richard I., eds. Structure from Diffraction Methods, Wiley-Blackwell, Ch.1. (10.1002/9781118695708.ch1)

Williams, Philip Andrew 2014. In-Situ studies of crystallization processes and other aspects of polymorphism. PhD Thesis, Cardiff University.
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Dudenko, Dmytro, Williams, Philip Andrew, Hughes, Colan Evan, Antzutkin, Oleg N., Velaga, Sitaram P., Brown, Steven P. and Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 2013. Exploiting the synergy of powder X-ray diffraction and solid-state NMR spectroscopy in structure determination of organic molecular solids. The Journal of Physical Chemistry C 117 (23) , pp. 12258-12265. 10.1021/jp4041106
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Williams, Philip Andrew, Hughes, Colan Evan, Buanz, Asma B. M., Gaisford, Simon and Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 2013. Expanding the Solid-State Landscape ofl-Phenylalanine: Discovery of Polymorphism and New Hydrate Phases, with Rationalization of Hydration/Dehydration Processes. The Journal of Physical Chemistry C 117 (23) , pp. 12136-12145. 10.1021/jp401547f

Williams, Philip Andrew, Hughes, Colan Evan and Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 2012. New insights into the preparation of the low-melting polymorph of racemic ibuprofen. Crystal Growth and Design 12 (12) , pp. 5839-5845. 10.1021/cg300599q

Hughes, Colan Evan, Williams, Philip Andrew, Peskett, Thomas Roper and Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 2012. Exploiting in situ solid-state NMR for the discovery of new polymorphs during crystallization processes. The Journal of Physical Chemistry Letters 3 (21) , pp. 3176-3181. 10.1021/jz301252u

Courvoisier, Emilie, Williams, Philip Andrew, Lim, Gin Keat, Hughes, Colan Evan and Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 2012. The crystal structure of l-arginine. Chemical Communications 48 (22) , pp. 2761-2763. 10.1039/c2cc17203h

Williams, Philip Andrew, Hughes, Colan Evan, Lim, Gin Keat, Kariuki, Benson ORCID: https://orcid.org/0000-0002-8658-3897 and Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 2012. Discovery of a New System Exhibiting Abundant Polymorphism: m-Aminobenzoic Acid. Crystal Growth & Design 12 (6) , pp. 3104-3113. 10.1021/cg3003178

This list was generated on Thu Mar 13 07:10:34 2025 GMT.


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