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156730

Juniorprofessur für Molekulare Struktur kondensierter Materie mit großen Datenmengen
IDI:(DE-82)156730_20230601

⇦ Juniorprofessur für Molekulare Struktur kondensierter Materie mit großen Datenmengen   ⇧ RWTH Aachen ⇧

Recent Publications

All known publications ...
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http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Abstract/Journal Article  ;
Systematic benchmark of levels of theory in NoSpherA2-HAR
74. Annual Meeting of the American Crystallographic Association, DenverDenver, USA, 7 Jul 2024 - 20242024-07-072024 Structural dynamics 12(2_Supplement), A56 () [10.1063/4.0000365]  GO OpenAccess  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article  ;  ;
Benchmarking crystal structure refinement: A systematic study on Hirshfeld atom refinement
Structural dynamics 12(5), 054101 () [10.1063/4.0000774]  GO OpenAccess  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article  ;  ;  ;  ;  ;
SISYPHOS: An automatic procedure for the serial refinement of single-crystal diffraction data in Olex2
Structural dynamics 12(5), 054102 () [10.1063/4.0000784]  GO OpenAccess  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article  ;  ;  ;  ;  ;  ;
Synthesis and quantum crystallographic evaluation of WYLID: YLID's red rival
Journal of applied crystallography 58(3), 678-687 () [10.1107/S160057672500175X]  GO OpenAccess  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article  ;  ;  ;
The use of effective core potentials in Hirshfeld atom refinement: making quantum crystallography faster in NoSpherA2
Journal of applied crystallography 58(2), 374-382 () [10.1107/S1600576725000901]  GO OpenAccess  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article  ;  ;  ;  ;  ;  ;  ;
Amphoteric Zinc(II) Hydride Cations [ZnH]+: Effect of a Bipyridyl Ligand
Inorganic chemistry 64(17), 8554-8564 () [10.1021/acs.inorgchem.4c05489]  GO BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article  ;  ;  ;  ;  ;  ;  ;  ;  ;  ;
Praseodymium in the formal +5 oxidation state
Nature chemistry 17(7), 1005-1010 () [10.1038/s41557-025-01797-w]  GO BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article  ;  ;  ;  ;
Experimental Spin State Determination of Iron(II) Complexes by Hirshfeld Atom Refinement
Chemistry - a European journal 31(14), e202404017 () [10.1002/chem.202404017]  GO OpenAccess  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Abstract/Journal Article  ;
Creation and analysis of a single-crystal X-ray diffraction experiment benchmark database
Acta crystallographica / Section A 80(a1), e622-e622 () [10.1107/S205327332409377X]  GO BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Abstract/Journal Article/Contribution to a conference proceedings  ;  ;
Machine guess of scattering factors - SALTED-NoSpherA2
34. European Crystallography Meeting, ECM34, PadovaPadova, Italy, 26 Aug 2024 - 30 Aug 20242024-08-262024-08-30 Acta Crystallographica / A 80(a1), e182-e182 () [10.1107/S2053273324098176] special issue: "Abstracts of the 34th European Crystallography Meeting Padova, Italy, 26-30 August 2024"  GO BibTeX | EndNote: XML, Text | RIS

All known publications ...
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 Record created 2025-09-17, last modified 2025-09-17
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