Projects funded by the NCN
Application of quantum crystallography methods to detect relativistic effects in crystal structures with heavy elements.
2018/31/N/ST4/02141
Keywords:
charge denisty relativistic effect heavy elements description of aspherical electron density
Descriptors:
- ST4_1: Physical chemistry, chemical physics
- ST4_4: Theoretical and computational chemistry
- ST4_15: Colloid chemistry
Panel:
ST4 - Chemistry: physical chemistry/chemical physics, theoretical chemistry, analytical chemistry, inorganic chemistry, organic chemistry, method development
Host institution :
Uniwersytet Warszawski, Wydział Chemii
woj. mazowieckie
Principal investigator (from the host institution):
Number of co-investigators in the project: 2
Call: PRELUDIUM 16 - announced on 2018-09-14
Amount awarded: 70 000 PLN
Project start date (Y-m-d): 2019-07-11
Project end date (Y-m-d): 2021-07-10
Project duration:: 24 months (the same as in the proposal)
Project status: Project settled
Project description
Download the project description in a pdf file
Note - project descriptions were prepared by the authors of the applications themselves and placed in the system in an unchanged form.
Equipment purchased [PL]
- Laptop z oprogramowaniem. (5 500 PLN)
- Dysk twardy przenośny (1 000 PLN)
Information in the final report
- Publication in academic press/journals (1)
- Relativistic Hirshfeld atom refinement of an organo-gold(I) compoundAuthors:Pawlędzio Sylwia, Malinska Maura, Woińska Magdalena, Wojciechowski Jakub, Andrade Malaspina Lorraine, Kleemiss Florian, Grabowsky Simon, Woźniak KrzysztofAcademic press:IUCrJ (rok: 2021, tom: 8, strony: 608-620), Wydawca: IUCrStatus:PublishedDOI:10.1107/S2052252521004541 - link to the publication