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Kenneth Shankland
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Structure determination from powder diffraction data
WIF David, K Shankland, LB McCusker, C Baerlocher
OUP Oxford, 2006
7312006
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
5872006
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
4201999
MaXus
S Mackay, CJ Gilmore, C Edwards, N Stewart, K Shankland
Nonius, The Netherlands, MacScience, Japan, and The University of Glasgow …, 1999
3201999
Routine determination of molecular crystal structures from powder diffraction data
WIF David
Chemical Communications, 931-932, 1998
2461998
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
2431997
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
1852009
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
1522001
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
1442019
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
1421997
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
1252006
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
1152005
Characterisation of amorphous and nanocrystalline molecular materials by total scattering
SJL Billinge, T Dykhne, P Juhás, E Božin, R Taylor, AJ Florence, ...
CrystEngComm 12 (5), 1366-1368, 2010
992010
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
972009
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
972000
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
971998
Polymorphism in benzamide
WIF David, K Shankland, CR Pulham, N Blagden, RJ Davey, M Song
Angewandte Chemie-International Edition 44 (43), 7032-7035, 2005
882005
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
852007
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
831992
Indexing powder patterns in physical form screening: instrumentation and data quality
AJ Florence, B Baumgartner, C Weston, N Shankland, AR Kennedy, ...
Journal of pharmaceutical sciences 92 (9), 1930-1938, 2003
822003
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