| Structure determination from powder diffraction data WIF David, K Shankland, LB McCusker, C Baerlocher OUP Oxford, 2006 | 730 | 2006 |
| DASH: a program for crystal structure determination from powder diffraction data WIF David, K Shankland, J Van De Streek, E Pidcock, WDS Motherwell, ... Journal of Applied Crystallography 39 (6), 910-915, 2006 | 586 | 2006 |
| MaXus computer program for the solution and refinement of crystal structures S Mackay, CJ Gilmore, C Edwards, N Stewart, K Shankland Bruker Nonius, The Netherlands, MacScience, Japan and The University of Glasgow, 1999 | 420 | 1999 |
| MaXus S Mackay, CJ Gilmore, C Edwards, N Stewart, K Shankland Nonius, The Netherlands, MacScience, Japan, and The University of Glasgow …, 1999 | 320 | 1999 |
| Routine determination of molecular crystal structures from powder diffraction data WIF David Chemical Communications, 931-932, 1998 | 245 | 1998 |
| Crystal structure determination from powder diffraction data by the application of a genetic algorithm K Shankland, WIF David, T Csoka Zeitschrift für Kristallographie-Crystalline Materials 212 (8), 550-552, 1997 | 243 | 1997 |
| Rational modification of the hierarchy of intermolecular interactions in molecular crystal structures by using tunable halogen bonds G Mínguez Espallargas, F Zordan, L Arroyo Marín, H Adams, K Shankland, ... Chemistry–A European Journal 15 (31), 7554-7568, 2009 | 185 | 2009 |
| A probabilistic approach to space-group determination from powder diffraction data AJ Markvardsen, WIF David, JC Johnson, K Shankland Acta Crystallographica Section A: Foundations of Crystallography 57 (1), 47-54, 2001 | 152 | 2001 |
| Chasing the “killer” phonon mode for the rational design of low‐disorder, high‐mobility molecular semiconductors G Schweicher, G d'Avino, MT Ruggiero, DJ Harkin, K Broch, ... Advanced Materials 31 (43), 1902407, 2019 | 144 | 2019 |
| Routine ab initio structure determination of chlorothiazide by X-ray powder diffraction using optimised data collection and analysis strategies WIF David Journal of Materials Chemistry 7 (3), 569-572, 1997 | 142 | 1997 |
| Reversible extrusion and uptake of HCl molecules by crystalline solids involving coordination bond cleavage and formation G Mínguez Espallargas, L Brammer, J van de Streek, K Shankland, ... Journal of the American Chemical Society 128 (30), 9584-9585, 2006 | 125 | 2006 |
| Solving molecular crystal structures from laboratory X-ray powder diffraction data with DASH: the state of the art and challenges AJ Florence, N Shankland, K Shankland, WIF David, E Pidcock, X Xu, ... Journal of applied crystallography 38 (2), 249-259, 2005 | 115 | 2005 |
| Characterisation of amorphous and nanocrystalline molecular materials by total scattering SJL Billinge, T Dykhne, P Juhás, E Bo¾in, R Taylor, AJ Florence, ... CrystEngComm 12 (5), 1366-1368, 2010 | 99 | 2010 |
| Temperature-and pressure-induced proton transfer in the 1: 1 adduct formed between squaric acid and 4, 4′-bipyridine DMS Martins, DS Middlemiss, CR Pulham, CC Wilson, MT Weller, ... Journal of the American Chemical Society 131 (11), 3884-3893, 2009 | 97 | 2009 |
| Structural characterization of three crystalline modifications of telmisartan by single crystal and high‐resolution X‐ray powder diffraction RE Dinnebier, P Sieger, H Nar, K Shankland, WIF David Journal of pharmaceutical sciences 89 (11), 1465-1479, 2000 | 97 | 2000 |
| Structure solution of ibuprofen from powder diffraction data by the application of a genetic algorithm combined with prior conformational analysis K Shankland, WIF David, T Csoka, L McBride International Journal of Pharmaceutics 165 (1), 117-126, 1998 | 97 | 1998 |
| Polymorphism in benzamide WIF David, K Shankland, CR Pulham, N Blagden, RJ Davey, M Song Angewandte Chemie-International Edition 44 (43), 7032-7035, 2005 | 88 | 2005 |
| Reversible gas uptake by a nonporous crystalline solid involving multiple changes in covalent bonding G Mínguez Espallargas, M Hippler, AJ Florence, P Fernandes, ... Journal of the American Chemical Society 129 (50), 15606-15614, 2007 | 85 | 2007 |
| Ab initio structure determination of LiCF3SO3 from X-ray powder diffraction data using entropy maximization and likelihood ranking M Tremayne, P Lightfoot, MA Mehta, PG Bruce, KDM Harris, K Shankland, ... Journal of Solid State Chemistry 100 (1), 191-196, 1992 | 83 | 1992 |
| Applications of the maximum entropy method to powder diffraction and electron crystallography CJ Gilmore, K Shankland, G Bricogne Proceedings of the Royal Society of London. Series A: Mathematical and …, 1993 | 82 | 1993 |
