Smalley, Christopher J. H., Hughes, Colan E., Hildebrand, Mariana, Aizen, Ruth, Bauer, Melanie, Yamano, Akihito, Levy, Davide, Mirsky, Simcha K., Shaked, Natan T., Young, Mark T. ORCID: https://orcid.org/0000-0002-9615-9002, Kolb, Ute, Gazit, Ehud, Kronik, Leeor and Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598 2024. Understanding the solid-state structure of riboflavin through a multitechnique approach. Crystal Growth and Design 24 (15) , pp. 6256-6266. 10.1021/acs.cgd.4c00480 |
Hughes, Colan E., Ratnasingam, Naomi V., Williams, Andrew, Benhenou, Erwan, Patterson, Rhian and Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598 2024. NMR crystallization: In-situ NMR strategies for monitoring the evolution of crystallization processes. Faraday Discussions 10.1039/D4FD00079J |
Wagner, Avital, Merkelbach, Johannes, Samperisi, Laura, Pinsk, Noam, Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897, Hughes, Colan E., Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598 and Palmer, Benjamin A. 2024. Structure determination of biogenic crystals directly from 3D electron diffraction data. Crystal Growth and Design 24 (3) , pp. 899-905. 10.1021/acs.cgd.3c01290 |
Cousin, Samuel François, Hughes, Colan E., Ziarelli, Fabio, Viel, Stéphane, Mollica, Giulia, Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598, Pinon, Arthur C. and Thureau, Pierre 2023. Exploiting solid-state dynamic nuclear polarization NMR spectroscopy to establish the spatial distribution of polymorphic phases in a solid material. Chemical Science 14 , pp. 10121-10128. 10.1039/D3SC02063K |
Al Rahal, Okba, Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897, Hughes, Colan E., Williams, P.Andrew, Xu, Xiaoyan, Gaisford, Simon, Iuga, Dinu and Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598 2023. Unraveling the Complex Solid-State Phase Transition Behavior of 1-Iodoadamantane, a Material for Which Ostensibly Identical Crystals Undergo Different Transformation Pathways. Crystal Growth and Design 23 (5) , pp. 3820-3833. 10.1021/acs.cgd.3c00223 |
Dosso, Jacopo ORCID: https://orcid.org/0000-0003-4173-3430, Oubaha, Hamid, Fasano, Francesco, Melinte, Sorin, Gohy, Jean-François, Hughes, Colan E., Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598, Demitri, Nicola, Abrami, Michela, Grassi, Mario and Bonifazi, Davide ORCID: https://orcid.org/0000-0001-5717-0121 2022. Boron nitride-doped polyphenylenic organogels. Chemistry of Materials 34 (23) , pp. 10670-10680. 10.1021/acs.chemmater.2c01766 |
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 |
Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598 2022. Circumventing a challenging aspect of crystal structure determination from powder diffraction data. Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials 78 (2) , pp. 96-99. 10.1107/S2052520622003717 |
Pinsk, Noam, Wagner, Avital, Cohen, Lilian, Smalley, Christopher J. H., Hughes, Colan E., Zhang, Gan, Pavan, Mariela J., Casati, Nicola, Jantschke, Anne, Goobes, Gil, Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598 and Palmer, Benjamin A. 2022. Biogenic guanine crystals are solid solutions of guanine and other purine metabolites. Journal of the American Chemical Society 144 (11) , pp. 5180-5189. 10.1021/jacs.2c00724 |
Di Santo, Giovanni, Miletic, Tanja, Schwendt, Mathias, Zhou, Yating, Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897, Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598, Floreano, Luca, Goldoni, Andrea, Puschnig, Peter, Petaccia, Luca and Bonifazi, Davide ORCID: https://orcid.org/0000-0001-5717-0121 2021. Orbital mapping of semiconducting perylenes on Cu(111). Journal of Physical Chemistry C 125 (44) , pp. 24477-24486. 10.1021/acs.jpcc.1c05575 |
Juramy, Marie, Chèvre, Romain, Cerreia Vioglio, Paolo, Ziarelli, Fabio, Besson, Eric, Gastaldi, Stéphane, Viel, Stéphane, Thureau, Pierre, Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598 and Mollica, Giulia 2021. Monitoring crystallization processes in confined porous materials by dynamic nuclear polarization solid-state nuclear magnetic resonance. Journal of the American Chemical Society 143 (16) , pp. 6095-6103. 10.1021/jacs.0c12982 |
Al Rahal, Okba, Williams, P. Andrew, Hughes, Colan E., Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 and Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598 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 |
Zhang, Qing, Liu, Weiyan, Zhou, Yi, Li, Junyan, Sun, Tu, Liu, Qingyuan, Ma, Yanhang, Wang, Jinghui, Li, Jun, Zhao, Ruoshi, Sui, Yu, Matsumoto, Takashi, Muroyama, Norihiro, Yamano, Akihito, Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598, Shen, Zhijian James and Terasaki, Osamu 2021. Andersson‐Magnéli phases TinO2n‐1: recent progress inspired by Swedish scientists. Zeitschrift für anorganische und allgemeine Chemie 647 (2-3) , pp. 126-133. 10.1002/zaac.202000408 |
Jones, Corey L., Hughes, Colan E., Yeung, Hamish H.-M., Paul, Alison ORCID: https://orcid.org/0000-0002-7653-9964, Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598 and Easun, Timothy L. ORCID: https://orcid.org/0000-0002-0713-2642 2021. Exploiting in-situ NMR to monitor the formation of a metal-organic framework. Chemical Science 12 (4) , pp. 1486-1494. 10.1039/D0SC04892E |
Sun, Tu, Hughes, Colan E., Guo, Linshuo, Wei, Lei, Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598, Zhang, Yue-Biao and Ma, Yanhang 2020. Direct-space structure determination of covalent organic frameworks from 3D electron diffraction data. Angewandte Chemie International Edition 59 (50) , pp. 22638-22644. 10.1002/anie.202009922 |
Schotten, Christiane, Leprevost, Samy K., Yong, Low Ming, Hughes, Colan E., Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598 and Browne, Duncan L. ORCID: https://orcid.org/0000-0002-8604-229X 2020. Comparison of the thermal stabilities of diazonium salts and their corresponding triazenes. Organic Process Research and Development 24 (10) , pp. 2336-2341. 10.1021/acs.oprd.0c00162 |
Yan, Yuncheng, Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897, Hughes, Colan E., Logsdail, Andrew J. ORCID: https://orcid.org/0000-0002-2277-415X and Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598 2020. Polymorphism in a multicomponent crystal system of trimesic acid and t-butylamine. Crystal Growth and Design 20 (9) , pp. 5736-5744. 10.1021/acs.cgd.0c00163 |
Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598, Patterson, Rhian, Zhou, Yating and Collins, Stephen P. 2020. X-Ray Birefringence Imaging (XBI): a new technique for spatially resolved mapping of molecular orientations in materials. Sakamoto, Masami and Uekusa, Hidehiro, eds. Advances in Organic Crystal Chemistry: Comprehensive Reviews 2020, Springer, Singapore, pp. 3-27. (10.1007/978-981-15-5085-0_1) |
Dosso, Jacopo ORCID: https://orcid.org/0000-0003-4173-3430, Battisti, Tommaso, Ward, Benjamin D. ORCID: https://orcid.org/0000-0003-1406-5940, Demitri, Nicola, Hughes, Colan E., Williams, P. Andrew, Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598 and Bonifazi, Davide ORCID: https://orcid.org/0000-0001-5717-0121 2020. Boron-nitrogen-doped nanographenes: a synthetic tale from borazine precursors. Chemistry - A European Journal 26 (29) , pp. 6608-6621. 10.1002/chem.201905794 |
Brekalo, Ivana, Yuan, Wenbing, Mottillo, Cristina, Lu, Yuneng, Zhang, Yuancheng, Casaban, Jose, Holman, K. Travis, James, Stuart L., Duarte, Frédéric, Williams, P. Andrew, Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598 and Friscic, Tomislav 2020. Manometric real-time studies of the mechanochemical synthesis of zeolitic imidazolate frameworks. Chemical Science 11 (8) 10.1039/C9SC05514B |
Bemmer, Victoria, Bowker, Michael ORCID: https://orcid.org/0000-0001-5075-1089, Carter, James H., Davies, Philip R. ORCID: https://orcid.org/0000-0003-4394-766X, Edwards, Lee E. ORCID: https://orcid.org/0000-0003-2200-9578, Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598, Hughes, Colan E., Robinson, Fiona, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731 and Thomas, Matthew G. 2020. Rationalization of the X-ray photoelectron spectroscopy of aluminium phosphates synthesized from different precursors. RSC Advances 10 (14) , p. 84448452. 10.1039/C9RA08738A |
Al Rahal, Okba, Hughes, Colan E., Williams, P. Andrew, Logsdail, Andrew J. ORCID: https://orcid.org/0000-0002-2277-415X, Diskin-Posner, Yael and Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598 2019. Polymorphism of L-tryptophan. Angewandte Chemie International Edition 58 (52) , pp. 18788-18792. 10.1002/anie.201908247 |
Christensen, Kirsten, Williams, P. Andrew, Patterson, Rhian, Palmer, Benjamin A., Couzi, Michel, Guillaume, François and Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598 2019. Reply to comment on Couzi et al. (2018): a phenomenological model for structural phase transitions in incommensurate alkane/urea inclusion compounds. Royal Society Open Science 6 (8) , 190518. 10.1098/rsos.190518 |
Bahili, Mohammed A., Stokes, Emily C., Amesbury, Robert C., Ould, Darren M. C., Christo, Bashar, Horne, Rhian, Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897, Stewart, Jack A., Taylor, Rebekah L., Williams, Andrew, Jones, Matthew D., Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598 and Ward, Benjamin D. ORCID: https://orcid.org/0000-0003-1406-5940 2019. Aluminium-catalysed isocyanate trimerization, enhanced by exploiting a dynamic coordination sphere. Chemical Communications 55 (53) , pp. 7679-7682. 10.1039/C9CC03339D |
Hughes, Colan E., Walkley, Brant, Gardner, Laura J., Walling, Samuel A., Bernal, Susan A., Iuga, Dinu, Provis, John L. and Harris, Kenneth D.M. ORCID: https://orcid.org/0000-0001-7855-8598 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 |
Hirsch, Anna, Palmer, Benjamin A., Ramasubramaniam, Ashwin, Williams, P. Andrew, Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598, Pokroy, Boaz, Weiner, Steve, Addadi, Lia, Leiserowitz, Leslie and Kronik, Leeor 2019. Structure and morphology of light-reflecting synthetic and biogenic polymorphs of isoxanthopterin: A comparison. Chemistry of Materials 31 (12) , pp. 4479-4489. 10.1021/acs.chemmater.9b01039 |
Vioglio, Paolo Cerreia, Thureau, Pierre, Juramy, Marie, Ziarelli, Fabio, Viel, Stéphane, Williams, P. Andrew, Hughes, Colan E., Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598 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 |
Zhou, Yating, Patterson, Rhian, Williams, P. Andrew, Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897, Hughes, Colan E., Samanta, Ranita, Devarapalli, Ramesh, Reddy, C. Malla, Apperley, David C. and Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598 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 |
Zhou, Yating, Patterson, Rhian, Palmer, Benjamin, Edwards-Gau, Gregory R, Kariuki, Benson ORCID: https://orcid.org/0000-0002-8658-3897, Nambalan Sivaraman, Saleesh Kumar, Bruce, Duncan W, Dolbnya, Igor P., Collins, Stephen P, Malandain, Andrew and Harris, Kenneth D M ORCID: https://orcid.org/0000-0001-7855-8598 2019. Spatially resolved mapping of phase transitions in liquid-crystalline materials by X-ray birefringence imaging. Chemical Science 10 (10) , -. 10.1039/C8SC05285A |
Hughes, Colan E, Williams, Andrew, Kariuki, Benson M ORCID: https://orcid.org/0000-0002-8658-3897 and Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 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 |
Khoj, Manal A., Hughes, Colan E., Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598 and Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 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 |
Couzi, Michel, Guillaume, François and Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598 2018. A phenomenological model for structural phase transitions in incommensurate alkane/urea inclusion compounds. Royal Society Open Science 5 (6) , -. 10.1098/rsos.180058 |
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 |
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 |
Maruyoshi, Keisuke, Iuga, Dinu, Watts, Abigail E., Hughes, Colan E., Harris, Kenneth D.M. ORCID: https://orcid.org/0000-0001-7855-8598 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 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 |
Thomas, John Meurig Harris, Kenneth ORCID: https://orcid.org/0000-0001-7855-8598, ed. 2017. The selected papers of Sir John Meurig Thomas. World Scientific Publishing Europe Ltd. 10.1142/q0055 |
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 |
Khoj, Manal A, Hughes, Colan Evan, Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 and Kariuki, Benson ORCID: https://orcid.org/0000-0002-8658-3897 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. 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 |
Charalampopoulos, Vasileios G., Kariuki, Benson ORCID: https://orcid.org/0000-0002-8658-3897 and Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 2017. Complexes of Thiourea with alkali metal bromides and iodides: Structural properties, mixed-halide and mixed-metal materials, and halide exchange processes. Crystal Growth and Design 17 (2) , pp. 786-793. 10.1021/acs.cgd.6b01644 |
Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 2017. Explorations in the dynamics of crystalline solids and the evolution of crystal formation processes. Israel Journal of Chemistry 57 , pp. 154-170. 10.1002/ijch.201600088 |
Couzi, Michel, Guillaume, François, Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598, Palmer, Benjamin A., Christensen, Kirsten and Collins, Stephen P. 2016. The true structural periodicities and superspace group descriptions of the prototypical incommensurate composite materials: Alkane/urea inclusion compounds. Europhysics Letters 116 (5) , 56001. 10.1209/0295-5075/116/56001 |
Palmer, Benjamin A., Collins, Stephen P., Hulliger, Juerg, Hughes, Colan E. and Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598 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 ORCID: https://orcid.org/0000-0001-7855-8598 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 |
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. |
Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 2016. New in situ solid-state NMR strategies for exploring materials formation and adsorption processes: prospects in heterogenous catalysis. Applied Petrochemical Research 6 (3) , pp. 295-306. 10.1007/s13203-016-0152-3 |
Sutter, John P., Dolbnya, Igor P., Collins, Stephen P., Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598, Edwards-Gau, Gregory R., Kariuki, Benson ORCID: https://orcid.org/0000-0002-8658-3897 and Palmer, Benjamin A. 2016. Novel technique for spatially resolved imaging of molecular bond orientations using x-ray birefringence. Presented at: 12th Annual Conference on Synchrotron Radiation Instrumentation - SRI2015, New York City, NY, USA, 6-10 July 2015. Proceedings of the 12th Annual Conference on Synchrotron Radiation Instrumentation - SRI2015. , vol.1741 American Institute of Physics, 050009. 10.1063/1.4952929 |
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 |
Watts, Abigail E., Maruyoshi, K, Hughes, Colan Evan, Brown, S and Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 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 |
Thomas, John Meurig and Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 2016. Some of tomorrow's catalysts for processing renewable and non-renewable feedstocks, diminishing anthropogenic carbon dioxide and increasing the production of energy. Energy & Environmental Science 9 (3) , pp. 687-708. 10.1039/C5EE03461B |
Williams, Eleri, Brousseau, Emmanuel ORCID: https://orcid.org/0000-0003-2728-3189, Lavery, Nick, Mehraban, Shahin, Keast, Victoria, Hughes, Colan and Harris, Kenneth ORCID: https://orcid.org/0000-0001-7855-8598 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. |
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) |
Zhou, Yating, Guo, Fang, Hughes, Colan Evan, Browne, Duncan L. ORCID: https://orcid.org/0000-0002-8604-229X, Peskett, Thomas R. and Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 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 |
Sutter, John P., Dolbnya, Igor P., Collins, Stephen P., Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598, Edwards-Gau, Gregory R. and Palmer, Benjamin A. 2015. Theoretical analysis of the background intensity distribution in X-ray Birefringence Imaging using synchrotron bending-magnet radiation. Journal of Applied Physics 117 (16) , 164902. 10.1063/1.4918925 |
Williams, P. Andrew, Hughes, Colan E. and Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598 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 ORCID: https://orcid.org/0000-0001-7855-8598 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 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 |
Palmer, Benjamin A., Edwards-Gau, Gregory, Kariuki, Benson ORCID: https://orcid.org/0000-0002-8658-3897, Harris, Kenneth David Mclean ORCID: https://orcid.org/0000-0001-7855-8598, Dolbnya, Igor P., Collins, Stephen P. and Sutter, John P. 2015. X-ray birefringence imaging of materials with anisotropic molecular dynamics. The Journal of Physical Chemistry Letters 6 , pp. 561-567. 10.1021/jz502652n |
Hughes, Colan Evan, Williams, Andrew, Keast, Victoria, Charalampopoulos, Vasileios, Edwards-Gau, Gregory R. and Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 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. 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 |
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 |
Palmer, Benjamin A., Edwards-Gau, Gregory R., Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897, Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598, Dolbnya, Igor P. and Collins, Stephen P. 2014. X-ray birefringence imaging. Science 344 (6187) , pp. 1013-1016. 10.1126/science.1253537 |
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) |
Palmer, Benjamin A., Le Comte, Annaïg, Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 and Guillaume, François 2013. Controlling spatial distributions of molecules in multicomponent organic crystals, with quantitative mapping by confocal Raman microspectrometry. Journal of the American Chemical Society 135 (39) , pp. 14512-14515. 10.1021/ja406866a |
Yeh, S.-Y., Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 and Jupp, P. E. 2013. A drifting Markov process on the circle, with physical applications. Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences 469 (2156) , 20130092. 10.1098/rspa.2013.0092 |
Sharples, Katherine Mary, Carter, Emma ORCID: https://orcid.org/0000-0001-6691-2377, Hughes, Colan Evan, Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598, Platts, James Alexis ORCID: https://orcid.org/0000-0002-1008-6595 and Murphy, Damien Martin ORCID: https://orcid.org/0000-0002-5941-4879 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 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 |
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 |
Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 2013. Mechanochemical synthesis: How grinding evolves. Nature Chemistry 5 (1) , pp. 12-14. 10.1038/nchem.1539 |
Yan, Yuncheng, Hughes, Colan Evan, Kariuki, Benson ORCID: https://orcid.org/0000-0002-8658-3897 and Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 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 |
Collins, S. P., Dolbnya, I., Palmer, B. A., Edwards-Gau, Gregory R., Morte-Ródenas, Anabel, Kariuki, Benson ORCID: https://orcid.org/0000-0002-8658-3897, Lim, G. Keat, Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 and Joly, Y. 2013. X-ray birefringence in highly anisotropic materials. Journal of Physics. Conference Series 425 (13) , 132015. 10.1088/1742-6596/425/13/132015 |
Dudenko, Dmytro, Yates, Jonathan R., Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 and Brown, Steven P. 2013. An NMR crystallography DFT-D approach to analyse the role of intermolecular hydrogen bonding and π–π interactions in driving cocrystallisation of indomethacin and nicotinamide. Crystengcomm 15 (43) , pp. 8797-8807. 10.1039/c3ce41240g |
Martí-Rujas, Javier, Meazza, Lorenzo, Lim, Gin Keat, Terraneo, Giancarlo, Pilati, Tullio, Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598, Metrangolo, Pierangelo and Resnati, Giuseppe 2013. An adaptable and dynamically porous organic salt traps unique tetrahalide dianions. Angewandte Chemie - International Edition 52 (50) , pp. 13444-13448. 10.1002/anie.201307552 |
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 |
Palmer, Benjamin A., Edwards-Gau, Gregory R., Morte Rodenas, Anabel, Kariuki, Benson ORCID: https://orcid.org/0000-0002-8658-3897, Lim, Gin Keat, Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598, Dolbnya, Igor P. and Collins, Stephen P. 2012. X-ray birefringence: a new strategy for determining molecular orientation in materials. The Journal of Physical Chemistry Letters 3 (21) , pp. 3216-3222. 10.1021/jz3013547 |
Ma, Xiaohe, Lim, Gin Keat, Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598, Apperley, David C., Horton, Peter N., Hursthouse, Michael B. and James, Stuart L. 2012. Efficient, scalable, and solvent-free mechanochemical synthesis of the OLED material Alq3(q = 8-Hydroxyquinolinate). Crystal Growth and Design 12 (12) , pp. 5869-5872. 10.1021/cg301291w |
Platts, James Alexis ORCID: https://orcid.org/0000-0002-1008-6595, Maarof, Hasmerya, Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598, Lim, Gin Keat and Willock, David James ORCID: https://orcid.org/0000-0002-8893-1090 2012. The effect of intermolecular hydrogen bonding on the planarity of amides. Physical Chemistry Chemical Physics 14 (34) , pp. 11944-11952. 10.1039/c2cp41716b |
Pons, A., Casas, Ll., Estop, E., Molins, E., Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 and Xu, Mingcan 2012. A new route to aerogels: monolithic silica cryogels. Journal of Non-Crystalline Solids 358 (3) , pp. 461-469. 10.1016/j.jnoncrysol.2011.10.031 |
James, Stuart L., Adams, Christopher J., Bolm, Carsten, Braga, Dario, Collier, Paul, Friscic, Tomislav, Grepioni, Fabrizia, Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598, Hyett, Geoff, Jones, William, Krebs, Anke, Mack, James, Maini, Lucia, Orpen, A. Guy, Parkin, Ivan P., Shearouse, William C., Steed, Jonathan W. and Waddell, Daniel C. 2012. Mechanochemistry: opportunities for new and cleaner synthesis. Chemical Society Reviews 41 (1) , pp. 413-447. 10.1039/c1cs15171a |
Palmer, Benjamin A., Kariuki, Benson ORCID: https://orcid.org/0000-0002-8658-3897, Morte-Ródenas, Anabel and Harris, Kenneth Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 2012. Structural rationalization of the phase transition behavior in a solid organic inclusion compound: bromocyclohexane/thiourea. Crystal Growth and Design 12 (2) , pp. 577-582. 10.1021/cg201656y |
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 |
Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598, Palmer, Benjamin A. and Edwards-Gau, Gregory R. 2012. Reactions in solid-state inclusion compounds. Gale, Philip A. and Steed, Jonathan W., eds. Supramolecular Chemistry: From Molecules to Nanomaterials, Vol. 4. Oxford: Wiley, pp. 1589-1612. (10.1002/9780470661345.smc164) |
Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 2012. Powder diffraction crystallography of molecular solids. Rissanen, Kari, ed. Advanced x-ray crystallography, Topics in Current Chemistry, vol. 315. Berlin: Springer, pp. 133-177. (10.1007/128_2011_251) |
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 |
Cheung, Eugene Y., Fujii, Kotaro, Guo, Fang, Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598, Hasebe, Sayoko and Kuroda, Reiko 2011. Structural chemistry of a new chiral anhydrous phase of Ru(bipy)3(ClO4)2 established from powder x-ray diffraction analysis. Crystal Growth and Design 11 (8) , pp. 3313-3317. 10.1021/cg200379h |
Aliev, Abil E., Mann, Sam E., Iuga, Dinu, Hughes, Colan Evan and Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 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 |
Ilott, Andrew J., Palucha, Sebastian, Batsanov, Andrei S., Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598, Hodgkinson, Paul and Wilson, Mark R. 2011. Structural properties of carboxylic acid dimers confined within the urea tunnel structure: an MD simulation study. Journal of Physical Chemistry B 115 (12) , pp. 2791-2800. 10.1021/jp110137h |
Fujii, Kotaro, Young, Mark Thomas ORCID: https://orcid.org/0000-0002-9615-9002 and Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 2011. Exploiting powder X-ray diffraction for direct structure determination in structural biology: the P2X4 receptor trafficking motif YEQGL. Journal of Structural Biology 174 (3) , pp. 461-467. 10.1016/j.jsb.2011.03.001 |
Prohens, Rafel, Portell, Anna, Puigjaner, Cristina, Tomas, Salvador, Fujii, Kotaro, Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598, Alcobe, Xavier, Font-Bardia, Merce and Barbas, Rafael 2011. Cooperativity in Solid-State Squaramides. Crystal Growth and Design 11 (9) , pp. 3725-3730. 10.1021/cg200772e |
Aliev, Abil E., Mann, Sam E., Rahman, Aisha S., McMillan, Paul F., Corà, Furio, Iuga, Dinu, Hughes, Colan Evan and Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 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 |
Palmer, Benjamin Alexander, Kariuki, Benson ORCID: https://orcid.org/0000-0002-8658-3897, Muppidi, Vamsee Krishna, Hughes, Colan Evan and Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 2011. An incommensurate thiourea inclusion compound. Chemical Communications- Royal Society of Chemistry 47 (13) , pp. 3760-3762. 10.1039/C0CC05477A |
Marti-Rujas, Javier, Kariuki, Benson ORCID: https://orcid.org/0000-0002-8658-3897, Hughes, Colan Evan, Morte-Ródenas, Anabel, Guo, Fang, Glavcheva-Laleva, Zornitza, Tastemur, Kemal, Ooi, Liling, Yeo, Lily and Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 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 A., Morte-Ródenas, Anabel, Kariuki, Benson ORCID: https://orcid.org/0000-0002-8658-3897, Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 and Collins, Stephen P. 2011. X-ray birefringence from a model anisotropic crystal. Journal of Physical Chemistry Letters 2 (18) , pp. 2346-2351. 10.1021/jz201026z |
Lim, Gin Keat, Fujii, Kotaro, Harris, Kenneth David Mclean ORCID: https://orcid.org/0000-0001-7855-8598 and Apperley, David C. 2011. Structure determination from Powder X-ray Diffraction Data of a new polymorph of a high-density organic hydrate material, with an assessment of Hydrogen-Bond Disorder by Rietveld Refinement. Crystal Growth and Design 11 (12) , pp. 5192-5199. 10.1021/cg201230k |
Marti-Rujas, Javier, Morte-Ródenas, Anabel, Guo, Fang, Thomas, Nigel, Fujii, Kotaro, Kariuki, Benson ORCID: https://orcid.org/0000-0002-8658-3897 and Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 2010. A solid-state dehydration process in an organic material associated with substantial hydrogen-bond reorganization, investigated by powder x-ray diffraction. Crystal Growth and Design 10 (7) , pp. 3176-3181. 10.1021/cg100330c |
Ghanem, Bader, Hashem, Mohammed ORCID: https://orcid.org/0000-0002-2582-8440, Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598, Msayib, Kadhum, Xu, Mingcan, Budd, Peter M., Chaukura, Nhamo, Book, David, Tedds, Steven, Walton, Allan and McKeown, Neil B. 2010. Triptycene-based polymers of intrinsic microporosity: organic materials that can be tailored for gas adsorption. Macromolecules 43 (12) , pp. 5287-5294. 10.1021/ma100640m |
Fujii, Kotaro, Uekusa, Hidehiro, Itoda, Naoko, Hasegawa, Gen, Yonemochi, Etsuo, Terada, Katsuhide, Pan, Zhigang and Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 2010. Physicochemical understanding of polymorphism and solid-state dehydration/rehydration processes for the pharmaceutical material acrinol, by ab initio powder X-ray diffraction analysis and other techniques. Journal of Physical Chemistry C 114 (1) , pp. 580-586. 10.1021/jp908636t |
Fujii, Kotaro, Ashida, Yasunari, Uekusa, Hidehero, Guo, Fang and Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 2010. Selective transformation pathways between crystalline forms of an organic material established from powder X-ray diffraction analysis. Chemical Communications- Royal Society of Chemistry 46 (24) , pp. 4264-4266. 10.1039/C0CC00233J |
Hughes, Colan Evan and Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 2010. Direct observation of a transient polymorph during crystallization. Chemical Communications- Royal Society of Chemistry 46 (27) , pp. 4982-4984. 10.1039/C0CC01007C |
Palmer, Benjamin A., Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 and Guillaume, François 2010. A strategy for retrospectively mapping the growth history of a crystal. Angewandte Chemie 49 (30) , pp. 5096-5100. 10.1002/anie.201000952 |
Lim, Gin Keat, Zhou, Zhongfu, Fujii, Kotaro, Calcagno, Patriza, Tedesco, Emilio, Kitchin, Simon J., Kariuki, Benson ORCID: https://orcid.org/0000-0002-8658-3897, Philp, Douglas and Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 2010. Arrays of P=O dipoles as a recurrent structural motif in dis-diphenylphosphine oxides, established from powder x-ray diffraction. Crystal Growth and Design 10 (8) , pp. 3814-3818. 10.1021/cg100715v |
Fujii, Kotaro, Garay, Ana Lazuen, Hill, Janeen, Sbircea, Elena, Pan, Zhigang, Xu, Mingcan, Apperley, David C., James, Stuart L. and Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 2010. Direct structure elucidation by powder X-ray diffraction of a metal-organic framework material prepared by solvent-free grinding. Chemical Communications- Royal Society of Chemistry 46 (40) , pp. 7572-7574. 10.1039/C0CC02635B |
Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 and Thomas, John Meurig 2009. Selected thoughts on chiral crystals, chiral surfaces, and asymmetric heterogeneous catalysis. Chemcatchem 1 (2) , pp. 223-231. 10.1002/cctc.200900181 |
Zhou, Zhongfu and Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 2009. Multiple-fragment representations of molecular geometry in direct-space structure solution from powder X-ray diffraction data using genetic algorithms. Computational Materials Science 45 (1) , pp. 118-121. 10.1016/j.commatsci.2008.03.047 |
Fujii, K., Ashida, Y., Uekusa, H., Hirano, S., Toyota, S., Toda, F., Pan, Z. and Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 2009. Vapour Induced Crystalline Transformation Investigated by ab initio Powder X-ray Diffraction Analysis. Crystal Growth & Design 9 (2) , pp. 1201-1207. 10.1021/cg801142p |
Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 2009. Fundamentals and applications of genetic algorithms for structure solution from powder X-ray diffraction data. Computational Materials Science 45 (1) , pp. 16-20. 10.1016/j.commatsci.2008.04.032 |
MacLean, E. J., Tremayne, M., Kariuki, Benson ORCID: https://orcid.org/0000-0002-8658-3897, Cameron, J. R. A., Roberts, M. A. and Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 2009. Lessons on the Discovery and Assignment of Polymorphs, Highlighted by the Case of the Latent Pigment DPP-Boc. Crystal Growth & Design 9 (2) , pp. 853-857. 10.1021/cg800466x |
Marti-Rujas, J., Desmedt, A., Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 and Guillaume, F. 2009. Bidirectional Transport of Guest Molecules through the Nanoporous Tunnel Structure of a Solid Inclusion Compound. Journal of Physical Chemistry C 113 (2) , pp. 736-743. 10.1021/jp806380p |
Msayib, Kadhum, Book, David, Budd, Peter M., Chaukura, Nhamo, Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598, Helliwell, Madeleine, Tedds, Steven, Walton, Allan, Warren, John E., Xu, Mingcan and McKeown, Neil B. 2009. Nitrogen and hydrogen adsorption by an organic microporous crystal. Angewandte Chemie. International Edition 48 (18) , pp. 3273-3277. 10.1002/anie.200900234 |
Paszkowicz, W., Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 and Johnston, R. L. 2009. Genetic algorithms: A universal tool for solving computational tasks in Materials Science Preface. Computational Materials Science 45 (1) , IX-X. 10.1016/j.commatsci.2008.07.008 |
Xu, Mingcan, Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 and Thomas, John Meurig 2009. Preferential Clustering of Water Molecules During Hydration of the Ammonium Form of the Solid Acid Catalyst ZSM-5. Catalysis Letters 131 (1-2) , pp. 16-20. 10.1007/s10562-009-0031-y |
Xu, Mingcan., Harris, Kenneth David MacLean ORCID: https://orcid.org/0000-0001-7855-8598 and Thomas, John Meurig 2009. In situ solid-state 1H NMR studies of hydration of the solid acid catalyst ZSM-5 in its ammonium form. Solid State Nuclear Magnetic Resonance 35 (2) , pp. 93-99. 10.1016/j.ssnmr.2008.12.011 |
Hughes, Colan Evan and Harris, Kenneth David MacLean ORCID: https://orcid.org/0000-0001-7855-8598 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 |
Huang, Shanshan, Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598, Lopez-Capel, E., Manning, D. A. C. and Rickard, David Terence ORCID: https://orcid.org/0000-0002-4632-5711 2009. "Amorphous Nickel Sulfide" Is Hydrated Nanocrystalline NiS with a Core-Shell Structure. Inorganic Chemistry 48 (24) , pp. 11486-11488. 10.1021/ic901512z |
Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598, Xu, Mingcan and Thomas, John Meurig 2009. Probing the evolution of water clusters during hydration of the solid acid catalyst H-ZSM-5. Philosophical Magazine 89 (33) , pp. 3001-3012. 10.1080/14786430903164606 |
Mella, Massimo and Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 2009. Pathways for hydrogen bond switching in a tetrameric methanol cluster. Physical Chemistry Chemical Physics -Cambridge- Royal Society of Chemistry 11 (47) , pp. 11340-11346. 10.1039/B911556K |
McKeown, Neil B., Ghanem, Bader S., Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598, Xu, Mingcan, Budd, Peter M., Book, David, Tedds, Steven and Walton, Allan 2009. Tailoring the microporosity of triptycene-based network polymers. Abstracts of Papers of the American Chemical Society 238 |
Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 and Xu, Mingcan 2009. Combined analysis of NMR and powder diffraction data. Harris, Robin K., Wasylishen, Roderick E. and Duer, Melinda J., eds. NMR Crystallography, EMR Books, Oxford: Wiley-Blackwell, pp. 275-287. |
Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 and Xu, Mingcan 2009. Crystal structure determination by the combined analysis of NMR and powder diffraction data. Harris, Robin K. and Wasylishen, Roderick E., eds. Encyclopedia of magnetic resonance, Chichester: John Wiley & Sons, (10.1002/9780470034590.emrstm1004) |
Copley, R. C. B., Barnett, S. A., Karamertzanis, P. G., Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598, Kariuki, Benson ORCID: https://orcid.org/0000-0002-8658-3897, Xu, Mingcan, Nickels, E. A., Lancaster, R. W. and Price, S. L. 2008. Predictable disorder versus polymorphism in the rationalization of structural diversity: A multidisciplinary study of eniluracil. Crystal Growth & Design 8 (9) , pp. 3474-3481. 10.1021/cg800517h |
Cote, M., Hughes, C. E., Austin, T. K., Rogueda, P. G. A., Pan, Z. G., Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 and Griffiths, Peter Charles 2008. Characterization of a polymorphic system exhibiting substantial variation of solubility in a fluorinated solvent. Journal of Physical Chemistry C 112 (37) , pp. 14570-14578. 10.1021/jp800848w |
Desmedt, A., Kitchin, S. J., Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598, Guillaume, F., Tykwinski, R. R., Xu, Mingcam and Gonzalez, M. A. 2008. Dynamic properties of solid ammonium cyanate. Journal of Physical Chemistry C 112 (40) , pp. 15870-15879. 10.1021/jp8042889 |
Guillaume, F., Huang, S., Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598, Couzi, M. and Talaga, D. 2008. Optical phonons in millerite (NiS) from single-crystal polarized Raman spectroscopy. Journal of Raman Spectroscopy 39 (10) , pp. 1419-1422. 10.1002/jrs.2014 |
Guo, Fang ORCID: https://orcid.org/0000-0001-5014-2830, Marti-Rujas, J., Pan, Z., Hughes, C. E. and Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 2008. Direct Structural Understanding of a Topochemical Solid State Photopolymerization Reaction. Journal of Physical Chemistry C 112 (50) , pp. 19793-19796. 10.1021/jp808254f |
Hamad, S., Hughes, Colan Evan, Catlow, C. R. A. and Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 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 ORCID: https://orcid.org/0000-0001-7855-8598 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 |
Pan, Z., Desmedt, A., MacLean, E. J., Guillaume, F. and Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 2008. Structural properties of low-temperature phase transitions in the prototypical thiourea inclusion compound: Cyclohexane/thiourea. Journal of Physical Chemistry C 112 (3) , pp. 839-847. 10.1021/jp076706y |
Xu, Mingcan and Harris, Kenneth David MacLean ORCID: https://orcid.org/0000-0001-7855-8598 2008. Triple-quantum Na-23 MAS NMR spectroscopy as a technique for probing polymorphism in sodium salts. Crystal Growth & Design 8 (1) , pp. 6-10. 10.1021/cg701077p |
Xu, Mingcan, Harris, Kenneth David MacLean ORCID: https://orcid.org/0000-0001-7855-8598 and Thomas, John Meurig 2008. Mapping the evolution of adsorption of water in nanoporous silica by in situ solid-state 1H NMR Spectroscopy. Journal of the American Chemical Society 130 (18) , pp. 5880-5882. 10.1021/ja8007243 |
Zhou, Zhongfu and Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 2008. Counteracting stagnation in genetic algorithm calculations by implementation of a micro genetic algorithm strategy. Physical Chemistry Chemical Physics 10 (48) , pp. 7262-7269. 10.1039/b807326k |
Zhou, Zhongfu and Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 2008. Optimizing the Number of Components in a Molecular Quasicrystal: A Three-Component Material Based on the Penrose Tiling. Journal of Physical Chemistry C 112 (42) , pp. 16186-16188. 10.1021/jp807372j |
Zhou, Zhongfu and Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 2008. Residue-based charge flipping: A new variant of an emerging algorithm for structure solution from X-ray diffraction data. Journal of Physical Chemistry A 112 (22) , pp. 4863-4868. 10.1021/jp801185u |
Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 and Edwards, Peter. P., eds. 2008. Turning points in solid-state, materials and surface science. Cambridge: Royal Society of Chemistry. 10.1039/9781847558183 |
Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 2008. Aperiodicity in organic materials. Harris, Kenneth David Maclean and Edwards, Peter P., eds. Turning points in solid-state, materials and surface science, Cambridge: Royal Society of Chemistry, pp. 302-333. (10.1039/9781847558183-00302) |
Marti-Rujas, Javier, Desmedt, Arnaud, Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 and Guillaume, François 2007. Kinetics of molecular transport in a nanoporous crystal studied by Confocal Raman microspectrometry: Single-file diffusion in a densely filled tunnel. Journal of Physical Chemistry B 111 (43) , pp. 12339-12344. 10.1021/jp076532k |
Hanson, Andrew John, Cheung, Eugene Y. and Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 2007. Enhanced efficiency of direct-space structure solution from powder X-ray diffraction data in the case of conformationally flexible molecules. Journal of Physical Chemistry B 111 (23) , pp. 6349-6356. 10.1021/jp070954c |
Zhou, Zhongfu, Siegler, Veronique, Cheung, Eugene, Habershon, Scott, Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 and Johnston, Roy L. 2007. Advantages of a redefinition of variable-space in direct-space structure solution from powder X-ray diffraction data. ChemPhysChem 8 (5) , pp. 650-653. 10.1002/cphc.200600726 |
Mereau, Raphael, Desmedt, Arnaud and Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 2007. Mechanistic aspects of the solid-state transformation of ammonium cyanate to urea at high pressure. Journal of Physical Chemistry B 111 (15) , pp. 3960-3968. 10.1021/jp070291z |
Cheung, Eugene Y., David, Sarah E., Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598, Conway, Barbara R. and Timmins, Peter 2007. Structural properties of a family of hydrogen-bonded co-crystals formed between gemfibrozil and hydroxy derivatives of t-butylamine, determined directly from powder x-ray diffraction data. Journal of Solid State Chemistry 180 (3) , pp. 1068-1075. 10.1016/j.jssc.2006.12.036 |
Verdal, Nina, Hudson, Bruce S., Pan, Zhigang and Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 2007. Conformational analysis of methoxy-substituted benzenes: Comparing INS spectra to DFT calculations and crystallographic analysis. Abstracts of Papers of the American Chemical Society 233 |
Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 2007. Aspects of validation in the structure determination of organic materials from powder X-ray diffraction data. Zeitschrift für Kristallographie 26 (S) , pp. 45-51. 10.1524/zksu.2007.2007.suppl_26.45 |
Hughes, Colan Evan, Hamad, Said, Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598, 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 |
Xu, Mingcan and Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 2007. Alteration of polymorphic selectivity through different crystallization mechanisms occurring in the same crystallization solution. Journal of Physical Chemistry B 111 (30) , pp. 8705-8707. 10.1021/jp074375j |
Xu, Mingcan, Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598, Thomas, John Meurig and Vaughan, David 2007. Probing the evolution of adsorption on nanoporous solids by in situ solid-state NMR spectroscopy. Chemphyschem 8 (9) , pp. 1311-1313. 10.1002/cphc.200700218 |
Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 2007. Fundamental and applied aspects of urea and thiourea inclusion compounds. Supramolecular Chemistry 19 (1-2) , pp. 47-53. 10.1080/10610270600977706 |
Ghanem, Bader S., Msayib, Kadhum, McKeown, Neil B., Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598, Pan, Zhigang, Budd, Peter M., Butler, Anna, Selbie, James, Book, David and Walton, Allan 2007. A triptycene-based polymer of intrinsic microposity that displays enhanced surface area and hydrogen adsorption. Chemical Communications- Royal Society of Chemistry (1) , pp. 67-69. 10.1039/b614214a |
Zhou, Zhongfu and Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 2006. Design of a molecular quasicrystal. ChemPhysChem 7 (8) , pp. 1649-1653. 10.1002/cphc.200600278 |
Ahn, Shinbyoung, Guo, Fang ORCID: https://orcid.org/0000-0001-5014-2830, Kariuki, Benson ORCID: https://orcid.org/0000-0002-8658-3897 and Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 2006. Abundant polymorphism in a system with multiple hydrogen-bonding opportunities: Oxalyl dihydrazide. Journal of the American Chemical Society 128 (26) , pp. 8441-8452. 10.1021/ja0573155 |
Marti-Rujas, Javier, Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598, Desmedt, Arnaud and Guillaume, François 2006. Significant conformational changes associated with molecular transport in a crystalline solid. Journal of Physical Chemistry B 110 (22) , pp. 10708-10713. 10.1021/jp060738o |
Pan, Zhigang, Xu, Mingcan, Cheung, Eugene Y., Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598, Constable, Edwin C. and Housecroft, Catherine E. 2006. Understanding the structural properties of a dendrimeric material directly from powder X-ray diffraction data. Journal of Physical Chemistry B 110 (24) , pp. 11620-11623. 10.1021/jp0624348 |
Kitchin, Simon J., Xu, Mingcan, Serrano-Gonzalez, Heliodoro, Coates, Laura J., Ahmed, S. Zaka, Glidewell, Christopher and Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 2006. Solid triphenylmethanol: a molecular material that undergoes multiple internal reorientational processes on different timescales. Journal of Solid State Chemistry 179 (5) , pp. 1335-1338. 10.1016/j.jssc.2006.01.047 |
Guo, Fang ORCID: https://orcid.org/0000-0001-5014-2830, Casadesus, Meritxell, Cheung, Eugene, Coogan, Michael Peter and Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 2006. On the spontaneous induction of chirality in the preparation of Werner's complex cis-[CoBr(NH3)(en)2]Br2. Chemical Communications (17) , pp. 1854-1856. 10.1039/b601530a |
Raja, Robert, Thomas, John Meurig, Xu, Mingcan, Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598, Greenhill-Hooper, Michael and Quill, Kieran 2006. Highly efficient one-step conversion of cyclohexane to adipic acid using single-site heterogeneous catalysts. Chemical Communications- Royal Society of Chemistry (4) , pp. 448-450. 10.1039/B513583D |
Cheung, Eugene Y. and Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 2006. Molecular crystal structures from powder X-ray diffraction techniques. Zeitschrift für Kristallographie Supplements 23 , pp. 15-20. |
Pan, Zhigang, Xu, Mingcan, Cheung, Eugene Y., Platts, James Alexis ORCID: https://orcid.org/0000-0002-1008-6595, Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598, Constable, Edwin C. and Housecroft, Catherine E. 2006. Solid-state structural properties of 2,4,6-trimethoxybenzene derivatives, determined directly from powder X-ray diffraction data in conjunction with other techniques. Journal of Solid State Chemistry 179 (10) , pp. 3214-3223. 10.1016/j.jssc.2006.06.009 |
Guo, Fang, Cheung, Eugene Y., Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 and Pedireddi, V. R. 2006. Contrasting solid-state structures of Trithiocyanuric Acid and Cyanuric Acid. Crystal Growth and Design 6 (4) , pp. 846-848. 10.1021/cg0601094 |
Bannister, N. P., Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598, Collins, S. P., Martindale, A., Monks, P. S., Solan, G. and Fraser, G. W. 2006. Dichroic Filters For Astronomical X-Ray Polarimetry. Experimental Astronomy 21 (1) , pp. 1-12. 10.1007/s10686-006-9054-1 |
Yue, Weimin, Nakano, Kazunori, Bishop, Roger, Craig, Donald C., Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 and Scudder, Marcia L. 2006. Alternative hydrogen bonding modes employed by a helical tubuland diol host molecule. CrystEngComm 8 (3) , pp. 250-256. 10.1039/b600651e |
Martí-Rujas, Javier, Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598, Desmedt, Arnaud and Guillaume, François 2006. In-situ monitoring of alkane-alkane guest exchange in urea inclusion compounds using confocal raman microspectrometry. Molecular Crystals and Liquid Crystals 456 (1) , pp. 139-147. 10.1080/15421400600788633 |
Cheung, Eugene, Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598, Kang, Ting, Scheffer, John R. and Trotter, J. 2006. Structure-reactivity correlations for solid state enantioselective photochemical reactions, established directly from powder X-ray diffraction. Journal of the American Chemical Society 128 (49) , pp. 15554-15555. 10.1021/ja063706n |
Aliev, Abil E., Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 and Champkin, Philip H. 2005. Structural and dynamic aspects of hydrogen-bonded complexes and inclusion compounds containing α,ω-dicyanoalkanes and urea, investigated by solid-state 13C and 2H NMR techniques. Journal of Physical Chemistry B 109 (49) , pp. 23342-23350. 10.1021/jp053849g |
Kitchin, Simon J., Tutoveanu, Gianina, Steele, Matthew R., Porter, Elaine L. and Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 2005. Significantly contrasting solid state dynamics of the racemic and enantiomerically pure crystalline forms of an amino acid. Journal of Physical Chemistry B 109 (48) , pp. 22808-22813. 10.1021/jp0532418 |
Pan, Zhigang, Cheung, Eugene Y., Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598, Constable, Edwin C. and Housecroft, Catherine E. 2005. Structural properties of methoxy derivatives of benzyl bromide, determined from powder X-ray diffraction data. Powder Diffraction 20 (4) , pp. 345-352. 10.1154/1.2135789 |
Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 and Thomas, John Meurig 2005. Prospects for exploiting 4D ultrafast electron microscopy in solid-state organic and biological chemistry. Crystal Growth and Design 5 (6) , pp. 2124-2130. 10.1021/cg050367l |
Lee, Sang-Ok, Kariuki, Benson ORCID: https://orcid.org/0000-0002-8658-3897 and Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 2005. Hydrogen-bonded chains of alpha,omega-diaminoalkane and alpha,omega-dihydroxyalkane guest molecules lead to disrupted tunnel structures in urea inclusion compounds. New Journal of Chemistry 29 (10) , pp. 1266-1271. 10.1039/B502004M |
Ahn, Shinbyoung, PrakashaReddy, J., Kariuki, Benson ORCID: https://orcid.org/0000-0002-8658-3897, Chatterjee, Swati, Ranganathan, Anupama, Pedireddi, V. R., Rao, C. N. R. and Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 2005. Structural rationalisation of co-crystals formed between trithiocyanuric acid and molecules containing hydrogen bonding functionality. Chemistry-a European Journal 11 (8) , pp. 2433-2439. 10.1002/chem.200400340 |
Pan, Zhigang, Cheung, Eugene Y., Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598, Constable, Edwin C. and Housecroft, Catherine E. 2005. A case study in direct-space structure determination from powder X-ray diffraction data: Finding the hydrate structure of an organic molecule with significant conformational flexibility. Crystal Growth and Design 5 (6) , pp. 2084-2090. 10.1021/cg050212d |
Xu, Mingcan and Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 2005. Altering the Polymorphic Product Distribution in a Solid-State Dehydration Process by Rapid Sample Rotation in a Solid-State NMR Probe. Journal of the American Chemical Society 127 (31) , pp. 10832-10833. 10.1021/ja052668p |
Guo, Fang and Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 2005. Structural understanding of a molecular material that is accessed only by a solid-state desolvation process: the scope of modern powder X-ray diffraction techniques. Journal of the American Chemical Society 127 (20) , pp. 7314-7315. 10.1021/ja050733p |
Marti-Rujas, Javier, Desmedt, Arnaud, Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 and Guillaume, Francois 2004. Direct Time-Resolved and Spatially Resolved Monitoring of Molecular Transport in a Crystalline Nanochannel System. Journal of the American Chemical Society 126 (36) , pp. 11124-11125. 10.1021/ja040117d |
Albesa-Jove, David, Kariuki, Benson ORCID: https://orcid.org/0000-0002-8658-3897, Kitchin, Simon J., Grice, Leanne, Cheung, Eugene Y. and Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 2004. Challenges in direct-space structure determination from powder diffraction data: a molecular material with four independent molecules in the asymmetric unit. Chemphyschem -Weinheim- 5 (3) , pp. 414-418. 10.1002/cphc.200301078 |
Alshahateet, Solhe F., Nakano, Kazunori, Bishop, Roger, Craig, Donald B., Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 and Scudder, Marcia L. 2004. Co-crystalline hydrogen bonded solids based on the alcohol-carboxylic acid-alcohol supramolecular motif. Crystengcomm 6 , pp. 5-10. 10.1039/B313956E |
Yeo, Lily and Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 2004. Host–guest chiral discrimination in incommensurate 2-hydroxyalkane/urea inclusion compounds: a computational study. Mendeleev Communications 14 (6) , pp. 263-266. 10.1070/MC2004v014n06ABEH002028 |
Habershon, Scott, Cheung, Eugene Y., Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 and Johnston, Roy L. 2004. An efficient algorithm for calculating whole-profile functions in crystal structure solution from powder diffraction data. Chemical Physics Letters 390 (4-6) , pp. 394-398. 10.1016/j.cplett.2004.04.031 |
Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 and Cheung, Eugene Y. 2004. How to determine structures when single crystals cannot be grown: opportunities for structure determination of molecular materials using powder diffraction data. Chemical Society Reviews 33 (8) , pp. 526-538. 10.1039/b409059b |
Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598, Habershon, Scott, Cheung, Eugene Y. and Johnston, Roy L. 2004. Developments in genetic algorithm techniques for structure solution from powder diffraction data. Zeitschrift für Kristallographie 219 (12) , pp. 838-846. 10.1524/zkri.219.12.838.55856 |
Wilson, R. A., Rai, S., Maughan, W. N., Kremer, L., Kariuki, Benson ORCID: https://orcid.org/0000-0002-8658-3897, Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598, Wagner, T., Besra, G. S. and Futterer, K. 2003. Crystallization and preliminary X-ray diffraction data of Mycobacterium tuberculosis FbpC1 (Rv3803c). Acta Crystallographica Section D - Biological Crystallography 59 , pp. 2303-2305. 10.1107/S0907444903020456 |
MacLean, Elizabeth J., Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598, Kariuki, Benson ORCID: https://orcid.org/0000-0002-8658-3897, Kitchin, Simon J., Tykwinski, Rik R., Swainson, Ian P. and Dunitz, Jack D. 2003. Ammonium cyanate shows N-H center dot center dot center dot N hydrogen bonding, not N-H center dot center dot center dot O. Journal of the American Chemical Society 125 (47) , pp. 14449-14451. 10.1021/ja021156x |
Chao, Mao-Hsun, Kariuki, Benson ORCID: https://orcid.org/0000-0002-8658-3897, Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598, Collins, Steven P. and Laundy, David 2003. Design of a Solid Inclusion Compound with Optimal Properties as a Linear Dichroic Filter for X-ray Polarization Analysis. Angewandte Chemie International Edition 42 (26) , pp. 2982-2985. 10.1002/anie.200350891 |
Meejoo, S., Kariuki, Benson ORCID: https://orcid.org/0000-0002-8658-3897, Kitchin, S. J., Cheung, E. Y., Albesa-Jove, D. and Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 2003. Structural aspects of the beta-polymorph of (E)-4-formylcinnamic acid: Structure determination directly from powder diffraction data and elucidation of structural disorder from solid-state NMR. Helvetica Chimica Acta 86 (5) , pp. 1467-1477. 10.1002/hlca.200390130 |
Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598, Johnston, R. L., Turner, G. W., Tedesco, E., Cheung, E. Y. and Kariuki, Benson ORCID: https://orcid.org/0000-0002-8658-3897 2002. Recent advances in the opportunities for solving molecular crystal structures directly from powder diffraction data. Molecular Crystals and Liquid Crystals 389 (1) , pp. 123-129. 10.1080/713738904 |
Albesa-Jove, D., Zhigang, Pan, Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 and Uekusa, H. A solid-state dehydration process associated with a significant change in the topology of dihydrogen phosphate chains, established from powder X-ray diffraction. Crystal Growth & Design 8 (10) , pp. 3641-3645. 10.1021/cg800226e |