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Structure determination of organic compounds by a fit to the pair distribution function from scratch without prior indexing
A method for the ab initio crystal structure determination of organic compounds by a fit to the pair distribution function (PDF), without prior knowledge of lattice parameters and space group, has been developed. The method is called ‘PDF-Global-Fit’ and is implemented by extension of the program FI...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8202035/ https://www.ncbi.nlm.nih.gov/pubmed/34188612 http://dx.doi.org/10.1107/S1600576721002569 |