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156730

⇦ 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 Journal Article Kleemiss, F. (Corresponding author)RWTH* ; Meurer, F. ; Shenderovich, I. G. ; Bodensteiner, M.
The use of effective core potentials in Hirshfeld atom refinement: making quantum crystallography faster in NoSpherA2
Journal of applied crystallography 58(2), 374-382 (2025) [10.1107/S1600576725000901]2025     Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Mahawar, P.RWTH* ; Rajeshkumar, T. ; Ritter, F.RWTH* ; Spaniol, T.RWTH* ; Englert, U. (Corresponding author)RWTH* ; Kleemiss, F. (Corresponding author)RWTH* ; Maron, L. ; Okuda, J. (Corresponding author)RWTH*
Amphoteric Zinc(II) Hydride Cations [ZnH]+: Effect of a Bipyridyl Ligand
Inorganic chemistry 64(17), 8554-8564 (2025) [10.1021/acs.inorgchem.4c05489]2025   BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Boggiano, A. C. ; Studvick, C. M. ; Roy Chowdhury, S. ; Niklas, J. E. ; Tateyama, H. ; Wu, H. ; Leisen, J. E. ; Kleemiss, F.RWTH* ; Vlaisavljevich, B. (Corresponding author) ; Popov, I. A. (Corresponding author) ; La Pierre, H. S. (Corresponding author)
Praseodymium in the formal +5 oxidation state
Nature chemistry 17(7), 1005-1010 (2025) [10.1038/s41557-025-01797-w]2025   BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Brüx, D.RWTH* ; Ebel, B.RWTH* ; Pelzer, N.RWTH* ; Kalf, I.RWTH* ; Kleemiss, F. (Corresponding author)RWTH*
Experimental Spin State Determination of Iron(II) Complexes by Hirshfeld Atom Refinement
Chemistry - a European journal 31(14), e202404017 (2024) [10.1002/chem.202404017]2024     Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Abstract/Journal Article Brüx, D. (Corresponding author)RWTH* ; Kleemiss, F.RWTH*
Creation and analysis of a single-crystal X-ray diffraction experiment benchmark database
Acta crystallographica / Section A 80(a1), e622-e622 (2024) [10.1107/S205327332409377X]2024   BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Abstract/Journal Article Ebel, B. (Corresponding author)RWTH* ; Kleemiss, F.RWTH*
First implementation of tight-binding methods (xTB) for quantum crystallographic refinement
Acta crystallographica / Section A 80(a1), e642-e642 (2024) [10.1107/S2053273324093574]2024   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 Meurer, F. (Corresponding author) ; Kleemiss, F.RWTH* ; Riesinger, C. ; Balazs, G. ; Vukovic, V. ; Shenderovich, I. G. ; Jelsch, C. ; Bodensteiner, M.
Probing the Isolobal Relation between Cp′′′NiP3 and White Phosphorus using Multipolar Modelling and X-ray Restrained Wavefunction Fitting
202434. European Crystallography Meeting, ECM34, PadovaPadova, Italy, 26 Aug 2024 - 30 Aug 20242024-08-262024-08-30 Acta crystallographica / Section A 80(a1), e187-e187 (2024) [10.1107/S2053273324098127] special issue: "Abstracts of the 34th European Crystallography Meeting Padova, Italy, 26-30 August 2024"2024   BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article/Contribution to a book Niklas, J. E. ; Otte, K. S. ; Studvick, C. M. ; Roy Chowdhury, S. ; Vlaisavljevich, B. ; Bacsa, J. ; Kleemiss, F.RWTH* ; Popov, I. A. (Corresponding author) ; La Pierre, H. S. (Corresponding author)
A tetrahedral neptunium(V) complex
Nature chemistry 16(9), 1490-1495 (2024) [10.1038/s41557-024-01529-6] special issue: "Topological transformations of DNA origami"2024   BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Kleemiss, F. (Corresponding author)RWTH* ; Peyerimhoff, N. ; Bodensteiner, M.
Refinement of X-ray and electron diffraction crystal structures using analytical Fourier transforms of Slater-type atomic wavefunctions in Olex2
Journal of applied crystallography 57(1), 161-174 (2024) [10.1107/S1600576723010981]2024     Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Meurer, F. ; Kleemiss, F.RWTH* ; Riesinger, C. ; Balázs, G. ; Vuković, V. ; Shenderovich, I. G. ; Jelsch, C. ; Bodensteiner, M. (Corresponding author)
Probing the Isolobal Relation between Cp′′′NiP3 and White Phosphorus by Experimental Charge Density Analysis
Chemistry - a European journal 30(19), e202303762 (2024) [10.1002/chem.202303762]2024     Files BibTeX | EndNote: XML, Text | RIS

All known publications ...
Download: BibTeX | EndNote XML,  Text | RIS |