Publikationen von 0000-0002-3377-9474
(ORCID: 0000-0002-3377-9474)

Feige, Felix, Malaspina, Lorraine A., Kleemiss, Florian , Kögel, Julius F. , Ketkov, Sergey , Hupf, Emanuel , Grabowsky, Simon und Beckmann, Jens (2023) An investigation into the Brønsted acidity of the perfluorinated alkoxy silanes {(F3C)3CO}3SiH and {(F6C5)3CO}2Si(Cl)H. Dalton Transactions 52 (18), S. 5918-5925. Volltext nicht vorhanden.

Yanai, Hikaru , Terajima, Yoshihiko, Kleemiss, Florian , Grabowsky, Simon und Matsumoto, Takashi (2023) Reversing the Bond Length Alternation Order in Conjugated Polyenes by Substituent Effects. Chemistry – A European Journal 29 (15). Volltext nicht vorhanden.

Hupf, Emanuel , Kleemiss, Florian , Borrmann, Tobias, Pal, Rumpa, Krzeszczakowska, Joanna M. , Woińska, Magdalena , Jayatilaka, Dylan , Genoni, Alessandro und Grabowsky, Simon (2023) The effects of experimentally obtained electron correlation and polarization on electron densities and exchange-correlation potentials. The Journal of Chemical Physics 158 (12). Volltext nicht vorhanden.

Pawlȩdzio, Sylwia , Malinska, Maura , Kleemiss, Florian , Grabowsky, Simon und Woźniak, Krzysztof (2022) Aurophilic Interactions Studied by Quantum Crystallography. Inorganic Chemistry 61 (10), S. 4235-4239. Volltext nicht vorhanden.

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

Kleemiss, Florian , Dolomanov, Oleg V., Bodensteiner, Michael , Peyerimhoff, Norbert , Midgley, Laura , Bourhis, Luc J., Genoni, Alessandro , Malaspina, Lorraine A., Jayatilaka, Dylan , Spencer, John L. , White, Fraser, Grundkötter-Stock, Bernhard, Steinhauer, Simon, Lentz, Dieter, Puschmann, Horst und Grabowsky, Simon (2021) Accurate crystal structures and chemical properties from NoSpherA2. Chemical Science 12 (5), S. 1675-1692. Volltext nicht vorhanden.

Kleemiss, Florian , Puylaert, Pim, Duvinage, Daniel , Fugel, Malte, Sugimoto, Kunihisa, Beckmann, Jens und Grabowsky, Simon (2021) Ibuprofen and sila-ibuprofen: polarization effects in the crystal and enzyme environments. Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 77 (6), S. 892-905. Volltext nicht vorhanden.

Midgley, Laura , Bourhis, Luc J., Dolomanov, Oleg V., Grabowsky, Simon , Kleemiss, Florian , Puschmann, Horst und Peyerimhoff, Norbert (2021) Vanishing of the atomic form factor derivatives in non-spherical structural refinement – a key approximation scrutinized in the case of Hirshfeld atom refinement. Acta Crystallographica Section A Foundations and Advances 77 (6), S. 519-533. Volltext nicht vorhanden.