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Pawlędzio, Sylwia ; Malinska, Maura ; Kleemiss, Florian ; Grabowsky, Simon ; Woźniak, Krzysztof

Influence of modelling disorder on Hirshfeld atom refinement results of an organo-gold(I) compound

Pawlędzio, Sylwia , Malinska, Maura , Kleemiss, Florian , Grabowsky, Simon and Woźniak, Krzysztof (2022) Influence of modelling disorder on Hirshfeld atom refinement results of an organo-gold(I) compound. IUCrJ 9 (4), pp. 497-507.

Date of publication of this fulltext: 29 Feb 2024 12:55
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Item typeArticle
Journal or Publication TitleIUCrJ
Publisher:INT UNION CRYSTALLOGRAPHY
Place of Publication:CHESTER
Volume:9
Number of Issue or Book Chapter:4
Page Range:pp. 497-507
Date2022
InstitutionsChemistry and Pharmacy > Central Analytical Services
Identification Number
ValueType
10.1107/S2052252522005309DOI
KeywordsX-RAY-DIFFRACTION; DISPLACEMENT PARAMETERS; ELECTRON-DENSITY; WAVE-FUNCTION; CRYSTALLOGRAPHY; PROGRAM; disorder; Hirshfeld atom refinement; heavy elements; relativistic effects; quantum crystallography
Dewey Decimal Classification500 Science > 540 Chemistry & allied sciences
StatusPublished
RefereedYes, this version has been refereed
Created at the University of RegensburgYes
Item ID57394

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