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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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Detalhes bibliográficos
Publicado no:IUCrJ
Main Authors: Chodkiewicz, Michał Leszek, Woińska, Magdalena, Woźniak, Krzysztof
Formato: Artigo
Idioma:Inglês
Publicado em: International Union of Crystallography 2020
Assuntos:
Acesso em linha: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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