Relativistic Hirshfeld atom refinement of an organo-gold(I) compound.
Hirshfeld atom refinement
aspherical atom model
relativistic effects
Journal
IUCrJ
ISSN: 2052-2525
Titre abrégé: IUCrJ
Pays: England
ID NLM: 101623101
Informations de publication
Date de publication:
01 Jul 2021
01 Jul 2021
Historique:
received:
02
02
2021
accepted:
28
04
2021
entrez:
14
7
2021
pubmed:
15
7
2021
medline:
15
7
2021
Statut:
epublish
Résumé
The main goal of this study is the validation of relativistic Hirshfeld atom refinement (HAR) as implemented in
Identifiants
pubmed: 34258009
doi: 10.1107/S2052252521004541
pii: S2052252521004541
pmc: PMC8256711
doi:
Types de publication
Journal Article
Langues
eng
Pagination
608-620Informations de copyright
© Sylwia Pawlędzio et al. 2021.
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