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Finding crystal structures from few diffraction data by a combination of a random search with genetic algorithms
A new procedure for performing structural analysis of crystalline materials from diffraction data, using internal coordinates, is described. For starting information only unit-cell content, space group, chemical formula, molecular connectivity and a limited amount of diffraction data are required. A...
| Autores principales: | , , |
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| Formato: | Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2008
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2483486/ https://www.ncbi.nlm.nih.gov/pubmed/19461847 http://dx.doi.org/10.1107/S0021889808020074 |