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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 type | Article | ||||
| Journal or Publication Title | IUCrJ | ||||
| Publisher: | INT UNION CRYSTALLOGRAPHY | ||||
|---|---|---|---|---|---|
| Place of Publication: | CHESTER | ||||
| Volume: | 9 | ||||
| Number of Issue or Book Chapter: | 4 | ||||
| Page Range: | pp. 497-507 | ||||
| Date | 2022 | ||||
| Institutions | Chemistry and Pharmacy > Central Analytical Services | ||||
| Identification Number |
| ||||
| Keywords | X-RAY-DIFFRACTION; DISPLACEMENT PARAMETERS; ELECTRON-DENSITY; WAVE-FUNCTION; CRYSTALLOGRAPHY; PROGRAM; disorder; Hirshfeld atom refinement; heavy elements; relativistic effects; quantum crystallography | ||||
| Dewey Decimal Classification | 500 Science > 540 Chemistry & allied sciences | ||||
| Status | Published | ||||
| Refereed | Yes, this version has been refereed | ||||
| Created at the University of Regensburg | Yes | ||||
| Item ID | 57394 |
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