Cardiff University | Prifysgol Caerdydd ORCA
Online Research @ Cardiff 
WelshClear Cookie - decide language by browser settings

Browse by All Cardiff Authors

Up a level
Export as [feed] Atom [feed] RSS 1.0 [feed] RSS 2.0
Number of items: 22.

Al Rahal, Okba, Williams, P. Andrew, Hughes, Colan E., Kariuki, Benson M. and Harris, Kenneth D. M. 2021. Structure determination of multicomponent crystalline phases of (S)-Ibuprofen and l-Proline from powder x-ray diffraction data, augmented by complementary experimental and computational techniques. Crystal Growth and Design 21 (4) , pp. 2498-2507. 10.1021/acs.cgd.1c00160
Item availability restricted.

Cerreia Vioglio, Paolo, Mollica, Giulia, Juramy, Marie, Hughes, Colan E., Williams, P. Andrew, Ziarelli, Fabio, Viel, Stéphane, Thureau, Pierre and Harris, Kenneth D. M. 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

Hughes, Colan Evan, Boughdiri, Ines, Bouakkaz, Clement, Williams, Philip Andrew and Harris, Kenneth David Maclean 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

Zilka, Miri, Dudenko, Dmytro V, Hughes, Colan, Williams, Philip, Sturniolo, Simone, Franks, W. Trent, Pickard, Chris J., Yates, Jonathan R., Harris, Kenneth 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

Arora, Mallika, Pineda, Sergio, Williams, Philip, Harris, Kenneth and Kariuki, Benson 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. 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

Harris, Kenneth D.M., 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

Pineda, Sergio, Arora, Mallika, Williams, Philip Andrew, Kariuki, Benson and Harris, Kenneth David MacLean 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. Ann Arbor: Acadia Publishing Company, pp. 236-243.

Williams, Philip Andrew, Hughes, Colan Evan, Martin, Jean, Courvoisier, Emilie, Buanz, Asma B. M., Gaisford, Simon and Harris, Kenneth David Maclean 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

Harris, Kenneth D.M. 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, 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., 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. 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

Iwama, Sekai, Kuyama, Kazunori, Mori, Yuko, Manoj, Kochunnoonny, Gonnade, Rajesh G., Suzuki, Katsuaki, Hughes, Colan Evan, Williams, Philip Andrew, Harris, Kenneth David Maclean, 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

Williams, Philip Andrew 2014. In-Situ studies of crystallization processes and other aspects of polymorphism. PhD Thesis, Cardiff University.
Item availability restricted.

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

Dudenko, Dmytro, Williams, Philip Andrew, Hughes, Colan Evan, Antzutkin, Oleg N., Velaga, Sitaram P., Brown, Steven P. and Harris, Kenneth David Maclean 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

Williams, Philip Andrew, Hughes, Colan Evan, Buanz, Asma B. M., Gaisford, Simon and Harris, Kenneth David Maclean 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 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 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 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 and Harris, Kenneth David Maclean 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 Sat Nov 27 07:38:53 2021 GMT.