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Number of items: 45.

Hughes, Colan E., Walkley, Brant, Gardner, Laura J., Walling, Samuel A., Bernal, Susan A., Iuga, Dinu, Provis, John L. and Harris, Kenneth D.M. 2019. Exploiting in-situ solid-state NMR spectroscopy to probe the early stages of hydration of calcium aluminate cement. Solid State Nuclear Magnetic Resonance 99 , -. 10.1016/j.ssnmr.2019.01.003

Vioglio, Paolo Cerreia, Thureau, Pierre, Juramy, Marie, Ziarelli, Fabio, Viel, Stéphane, Williams, P. Andrew, Hughes, Colan E., Harris, Kenneth D. M. and Mollica, Giulia 2019. A strategy for probing the evolution of crystallization processes by low-temperature solid-state NMR and dynamic nuclear polarization. Journal of Physical Chemistry Letters 10 (7) , pp. 1505-1510. 10.1021/acs.jpclett.9b00306
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Zhou, Yating, Patterson, Rhian, Williams, P. Andrew, Kariuki, Benson M., Hughes, Colan E., Samanta, Ranita, Devarapalli, Ramesh, Reddy, C. Malla, Apperley, David C. and Harris, Kenneth D. M. 2019. Temperature-dependent structural properties, phase transition behavior, and dynamic properties of a benzene derivative in the solid state. Crystal Growth and Design 19 (4) , pp. 2155-2162. 10.1021/acs.cgd.8b01775
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Hughes, Colan E, Williams, Andrew, Kariuki, Benson M and Harris, Kenneth David Maclean 2018. Establishing the transitory existence of amorphous phases in crystallization pathways by the CLASSIC NMR technique. ChemPhysChem 19 (24) , pp. 3341-3345. 10.1002/cphc.201800976
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Khoj, Manal A., Hughes, Colan E., Harris, Kenneth D. M. and Kariuki, Benson M. 2018. Polymorphic phase transformations of 3-chloro-trans-cinnamic acid and its solid solution with 3-bromo-trans-cinnamic acid. Acta Crystallographica Section C: Structural Chemistry 74 (8) , pp. 923-928. 10.1107/S2053229618009269

Cerreia Vioglio, Paolo, Mollica, Giulia, Juramy, Marie, Hughes, Colan, Williams, Andrew, Ziarelli, Fabio, Viel, Stéphane, Thureau, Pierre and Harris, Kenneth David Maclean 2018. New 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

Maruyoshi, Keisuke, Iuga, Dinu, Watts, Abigail E., Hughes, Colan E., Harris, Kenneth D.M. and Brown, Steven P. 2017. Assessing the detection limit of a minority solid-state Form of a pharmaceutical by 1 H double-quantum magic-angle spinning nuclear magnetic resonance spectroscopy. Journal of Pharmaceutical Sciences 106 (11) , pp. 3372-3377. 10.1016/j.xphs.2017.07.014

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

Hughes, Colan Evan, Reddy, Manjunatha, Masiero, Stefano, Brown, Steven P., Williams, Philip Andrew and Harris, Kenneth David Maclean 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

Khoj, Manal A, Hughes, Colan Evan, Harris, Kenneth David Maclean and Kariuki, Benson 2017. Structural diversity of solid solutions formed between 3-chloro-trans-cinnamic acid and 3-bromo-trans-cinnamic acid. Crystal Growth and Design 17 (3) , pp. 1276-1284. 10.1021/acs.cgd.6b01675

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

Palmer, Benjamin A., Collins, Stephen P., Hulliger, Juerg, Hughes, Colan Evan and Harris, Kenneth David Mclean 2016. Determining molecular orientations in disordered materials from X-ray linear dichroism at the iodine L1-edge. Journal of the American Chemical Society 138 (50) , pp. 16188-16191. 10.1021/jacs.6b09054

Hughes, Colan Evan and Harris, Kenneth David Maclean 2016. Calculation of solid-state NMR Lineshapes using contour analysis. Solid State Nuclear Magnetic Resonance 80 , pp. 7-13. 10.1016/j.ssnmr.2016.10.002

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

Watts, Abigail E., Maruyoshi, K, Hughes, Colan Evan, Brown, S and Harris, Kenneth David Maclean 2016. Combining the advantages of powder X-ray diffraction and NMR crystallography in structure determination of the pharmaceutical material cimetidine hydrochloride. Crystal Growth and Design 16 (4) , pp. 1798-1804. 10.1021/acs.cgd.6b00016

Williams, Eleri, Brousseau, Emmanuel, Lavery, Nick, Mehraban, Shahin, Keast, Victoria, Hughes, Colan and Harris, Kenneth 2016. Nanosecond laser milling of the amorphous alloy Zr41.2Ti13.8Cu12.5Ni10Be22.5. Presented at: 11 th International Conference on Multi-Material Micro Manufacture (4M2016), co-organised with 10th International Workshop on Microfactories (IWMF2016), Lyngby, Denmark,, 13-15 September 2016.

Zhou, Yating, Guo, Fang, Hughes, Colan Evan, Browne, Duncan L., Peskett, Thomas R. and Harris, Kenneth David Maclean 2015. Discovery of new metastable polymorphs in a family of urea co-crystals by solid-state mechanochemistry. Crystal Growth and Design 15 (6) , pp. 2901-2907. 10.1021/acs.cgd.5b00331

Williams, P. Andrew, Hughes, Colan Evan and Harris, Kenneth David Maclean 2015. L-lysine: Exploiting powder X-ray diffraction to complete the set of crystal structures of the 20 directly encoded proteinogenic amino acids. Angewandte Chemie - International Edition 54 (13) , pp. 3973-3977. 10.1002/anie.201411520

Shivakumar, Kilingaru I., Yan, Yuncheng, Hughes, Colan Evan, Apperley, David C., Harris, Kenneth David Maclean and Sanjayan, Gangadhar J. 2015. Exploiting powder X-ray diffraction to establish the solvent-assisted solid-state supramolecular assembly of pillar[5]quinone. Crystal Growth and Design 15 (4) , pp. 1583-1587. 10.1021/acs.cgd.5b00277

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

Hughes, Colan Evan, Williams, Andrew, Keast, Victoria, Charalampopoulos, Vasileios, Edwards-Gau, Gregory R. and Harris, Kenneth David Maclean 2015. New in situ solid-state NMR techniques for probing the evolution of crystallization processes: pre-nucleation, nucleation and growth. Faraday Discussions 179 , pp. 115-140. 10.1039/C4FD00215F

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 Evan, Williams, Philip Andrew and Harris, Kenneth David Maclean 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

Sharples, Katherine Mary, Carter, Emma, Hughes, Colan Evan, Harris, Kenneth David Maclean, Platts, James Alexis and Murphy, Damien Martin 2013. An ENDOR and DFT analysis of hindered methyl group rotations in frozen solutions of bis(acetylacetonato)-copper(ii). Physical Chemistry Chemical Physics 15 (36) , pp. 15214-15222. 10.1039/c3cp52464g

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

Yan, Yuncheng, Hughes, Colan Evan, Kariuki, Benson and Harris, Kenneth David Maclean 2013. A rare case of polymorphism in a three-component co-crystal system, with each polymorph having ten independent molecules in the asymmetric unit. Crystal Growth and Design 13 (1) , pp. 27-30. 10.1021/cg3016035

Khoj, Manal A., Hughes, Colan Evan, Harris, Kenneth David Maclean and Kariuki, Benson 2013. Polymorphism in a trans-cinnamic acid derivative exhibiting two distinct β‑type phases: structural properties, [2 + 2] photodimerization reactions, and polymorphic phase transition behavior. Crystal Growth and Design 13 (9) , pp. 4110-4117. 10.1021/cg4009202

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

Aliev, Abil E., Mann, Sam E., Iuga, Dinu, Hughes, Colan Evan and Harris, Kenneth David Maclean 2011. Natural-abundance solid-state H-2 NMR spectroscopy at high magnetic field. Journal of Physical Chemistry A 115 (22) , pp. 5568-5578. 10.1021/jp202810k

Aliev, Abil E., Mann, Sam E., Rahman, Aisha S., McMillan, Paul F., Corà, Furio, Iuga, Dinu, Hughes, Colan Evan and Harris, Kenneth David Maclean 2011. High-resolution solid-state 2H NMR spectroscopy of polymorphs of glycine. Journal of Physical Chemistry A 115 (44) , pp. 12201-12211. 10.1021/jp207592u

Marti-Rujas, Javier, Kariuki, Benson, Hughes, Colan Evan, Morte-Ródenas, Anabel, Guo, Fang, Glavcheva-Laleva, Zornitza, Tastemur, Kemal, Ooi, Liling, Yeo, Lily and Harris, Kenneth David Maclean 2011. Structural diversity, but no polymorphism, in a homologous family of co-crystals of urea and α,ω-dihydroxyalkanes. New Journal of Chemistry 35 (7) , pp. 1515-1521. 10.1039/C1NJ20040B

Palmer, Benjamin Alexander, Kariuki, Benson, Muppidi, Vamsee Krishna, Hughes, Colan Evan and Harris, Kenneth David Maclean 2011. An incommensurate thiourea inclusion compound. Chemical Communications- Royal Society of Chemistry 47 (13) , pp. 3760-3762. 10.1039/C0CC05477A

Hughes, Colan Evan and Harris, Kenneth David Maclean 2010. Direct observation of a transient polymorph during crystallization. Chemical Communications- Royal Society of Chemistry 46 (27) , pp. 4982-4984. 10.1039/C0CC01007C

Hughes, Colan Evan and Harris, Kenneth David MacLean 2009. The effect of deuteration on polymorphic outcome in the crystallization of glycine from aqueous solution. New Journal of Chemistry 33 (4) , pp. 713-716. 10.1039/B819199A

Hamad, S., Hughes, Colan Evan, Catlow, C. R. A. and Harris, Kenneth David Maclean 2008. Clustering of glycine molecules in aqueous solution studied by molecular dynamics simulation. Journal of Physical Chemistry B 112 (24) , pp. 7280-7288. 10.1021/jp711271z

Hughes, Colan Evan and Harris, Kenneth David Maclean 2008. A technique for in situ monitoring of crystallization from solution by solid-state C-13 CPMAS NMR spectroscopy. Journal of Physical Chemistry A 112 (30) , pp. 6808-6810. 10.1021/jp805182v

Olejniczak, S., Mikua-Pacboczyk, J., Hughes, Colan Evan and Potrzebowski, M. J. 2008. N-15 and C-13 high-resolution solid-state NMR study of the polymorphism of the L-enantiomer of N-benzoylphenylalanine. Journal of Physical Chemistry B 112 (6) , pp. 1586-1593. 10.1021/jp073428u

Olejniczak, S., Mikua-Pacboczyk, J., Hughes, Colan Evan and Potrzebowski, M. J. 2008. 15N and13C high-resolution solid-state NMR study of the polymorphism of the L-enantiomer of N-benzoylphenylalanine. Journal of Physical Chemistry B 112 (6) , pp. 1586-1593. 10.1021/jp073428u

Hughes, Colan Evan, Hamad, Said, Harris, Kenneth David Maclean, Catlow, C. Richard A. and Griffiths, Peter Charles 2007. A multi-techuique approach for probing the evolution of structural properties during crystallization of organic materials from solution. Faraday Discussions- Royal Society of Chemistry 136 , pp. 71-89. 10.1039/B616611C

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