Fundamentals and applications of genetic algorithms for structure solution from powder X-ray diffraction data

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

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Abstract

Fundamental aspects relating to the development of the direct-space genetic algorithm technique for carrying out structure solution from powder X-ray diffraction data are reviewed, and several examples are given to illustrate the application of this technique to solve crystal structures for different types of organic materials.

Item Type:	Article
Date Type:	Publication
Status:	Published
Schools:	Chemistry
Subjects:	Q Science > QD Chemistry
Uncontrolled Keywords:	Genetic algorithm; Powder X-ray diffraction; Structure solution; Direct-space strategy
Publisher:	Elsevier
ISSN:	0927-0256
Last Modified:	17 Oct 2022 09:51
URI:	https://orca.cardiff.ac.uk/id/eprint/5976

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