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Hirshfeld atom like refinement with alternative electron density partitions
Hirshfeld atom refinement is one of the most successful methods for the accurate determination of structural parameters for hydrogen atoms from X-ray diffraction data. This work introduces a generalization of the method [generalized atom refinement (GAR)], consisting of the application of various me...
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| Udgivet i: | IUCrJ |
|---|---|
| Main Authors: | , , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
International Union of Crystallography
2020
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7642787/ https://ncbi.nlm.nih.gov/pubmed/33209330 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1107/S2052252520013603 |
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