Papers by Author: Kenneth D.M. Harris

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Fundamental Developments in Direct-Space Techniques for Structure Solution from Powder Diffraction Data
Authors: Scott Habershon, David Albesa-Jové, Eugene Y. Cheung, Giles W. Turner, Roy L. Johnston, Kenneth D.M. Harris
Abstract: Solids that can be prepared only as microcrystalline powders are not suitable for structural investigation using single crystal diffraction techniques, and it is necessary instead to carry out structure determination using powder diffraction data. In this paper, we focus on a direct-space strategy for solving crystal structures directly from powder diffraction data in which a hypersurface based on the powder profile R-factor Rwp is searched using a Genetic Algorithm, and we highlight some recent fundamental developments relating to this methodology.
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Structure Determination of 4,4'-Trimethylenedipyridine from Powder Diffraction Data
Authors: Emilio Tedesco, Sarbjeet S. Dhillon, Kenneth D.M. Harris, Roy L. Johnston, Giles W. Turner, Benson M. Kariuki
784
Structure Solution of Molecular Crystals from Powder Diffraction Data Using Genetic Algorithms: Opportunities in Academic and Industrial Research
Authors: Kenneth D.M. Harris, Roy L. Johnston, Benson M. Kariuki, Emilio Tedesco, Giles W. Turner
38
Crystal Structure Solution from Powder Diffraction Data by the Monte Carlo Method
Authors: Kenneth D.M. Harris, Benson M. Kariuki, M. Tremayne
32
Ab Initio Determination of Molecular Crystal Structures using Powder Diffraction Data from a Laboratory X-Ray Source
Authors: P. Lightfood, M.J. Tremayne, Kenneth D.M. Harris, C. Glidewell, K. Shankland, C.J. Gilmore, Peter G. Bruce
207
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