Fundamentals and applications of genetic algorithms for structure solution from powder X-ray diffraction data
β Scribed by Kenneth D.M. Harris
- Book ID
- 116375153
- Publisher
- Elsevier Science
- Year
- 2009
- Tongue
- English
- Weight
- 380 KB
- Volume
- 45
- Category
- Article
- ISSN
- 0927-0256
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## Abstract Previously, the genetic algorithm (GA) approach for directβspace crystal structure solution from powder diffraction data has been applied successfully in the structure determination of a range of organic molecular materials. In this article, we present a further development of our appro
## Abstract A genetic algorithm (GA) based method for solving crystal structures directly from powder diffraction data has been developed. The method is based around fitting the diffraction data generated from trial structures against the measured diffraction data and has the ability to handle flex