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

Harris, Kenneth David Maclean 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: 04 Jun 2017 01:55
URI: http://orca.cf.ac.uk/id/eprint/5976

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