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McMonagle, Charles J; Fuller, Chloe A; Hupf, Emanuel; Malaspina, Lorraine A; Grabowsky, Simon; Chernyshov, Dmitry (2024). Lattice response to the radiation damage of molecular crystals: radiation-induced versus thermal expansivity. Acta crystallographica Section B, 80(Pt 1), pp. 13-18. International Union of Crystallography 10.1107/S2052520623010636
Hupf, Emanuel; Kleemiss, Florian; Borrmann, Tobias; Pal, Rumpa; Krzeszczakowska, Joanna M.; Woińska, Magdalena; Jayatilaka, Dylan; Genoni, Alessandro; 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), p. 124103. American Institute of Physics AIP 10.1063/5.0138312
Feige, Felix; Malaspina, Lorraine A.; Kleemiss, Florian; Kögel, Julius F.; Ketkov, Sergey; Hupf, Emanuel; Grabowsky, Simon; Beckmann, Jens (2023). An investigation into the Brønsted acidity of the perfluorinated alkoxy silanes {(F 3 C) 3 CO} 3 SiH and {(F 6 C 5 ) 3 CO} 2 Si(Cl)H. Dalton transactions, 52(18), pp. 5918-5925. Royal Society of Chemistry 10.1039/D3DT00299C
Duvinage, Daniel; Puylaert, Pim; Wieduwilt, Erna K.; Malaspina, Lorraine A.; Edwards, Alison J.; Lork, Enno; Mebs, Stefan; Hupf, Emanuel; Grabowsky, Simon; Beckmann, Jens (2022). Nickel and Palladium Complexes of a PP(O)P Pincer Ligand Based upon a peri -Substituted Acenaphthyl Scaffold and a Secondary Phosphine Oxide. Inorganic chemistry, 61(22), pp. 8406-8418. American Chemical Society 10.1021/acs.inorgchem.1c03266
Feige, Felix; Malaspina, Lorraine A.; Rychagova, Elena; Ketkov, Sergey; Grabowsky, Simon; Hupf, Emanuel; Beckmann, Jens (2021). Perfluorinated Trialkoxysilanol with Dramatically Increased Brønsted Acidity. Chemistry - a European journal, 27(64), pp. 15898-15902. Wiley-VCH 10.1002/chem.202103177
Holsten, Sebastian; Malaspina, Lorraine A.; Kleemiss, Florian; Mebs, Stefan; Hupf, Emanuel; Grabowsky, Simon; Beckmann, Jens (2021). Different Reactivities of (5-Ph 2 P-Ace-6-) 2 MeSiH toward the Rhodium(I) Chlorides [(C 2 H 4 ) 2 RhCl] 2 and [(CO) 2 RhCl] 2 . Hirshfeld Atom Refinement of a Rh–H···Si Interaction. Organometallics, 40(13), pp. 2027-2038. American Chemical Society 10.1021/acs.organomet.0c00804
Kleemiss, Florian; Wieduwilt, Erna K.; Hupf, Emanuel; Shi, Ming W.; Stewart, Scott G.; Jayatilaka, Dylan; Turner, Michael J.; Sugimoto, Kunihisa; Nishibori, Eiji; Schirmeister, Tanja; Schmidt, Thomas C.; Engels, Bernd; Grabowsky, Simon (2021). Similarities and differences between crystal and enzyme environmental effects on the electron density of drug molecules. Chemistry - a European journal, 27(10), pp. 3407-3419. Wiley-VCH 10.1002/chem.202003978
Meyer, Fabio; Hupf, Emanuel; Lork, Enno; Grabowsky, Simon; Mebs, Stefan; Beckmann, Jens (2020). Bis(6-diphenylphosphino-acenaphth-5-yl)sulfoxide. A New Ligand for Late Transition Metal Complexes. European journal of inorganic chemistry, 2020(40), pp. 3829-3836. Wiley-VCH 10.1002/ejic.202000610
Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F.; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro (2019). Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy. The journal of physical chemistry letters, 10(22), pp. 6973-6982. American Chemical Society 10.1021/acs.jpclett.9b02646
Hupf, Emanuel; Malaspina, Lorraine A.; Holsten, Sebastian; Kleemiss, Florian; Edwards, Alison J.; Price, Jason R.; Kozich, Valeri; Heyne, Karsten; Mebs, Stefan; Grabowsky, Simon; Beckmann, Jens (2019). Proximity Enforced Agostic Interactions Involving Closed-Shell Coinage Metal Ions. Inorganic chemistry, 58(24), pp. 16372-16378. American Chemical Society 10.1021/acs.inorgchem.9b01845
Fugel, Malte; Jayatilaka, Dylan; Hupf, Emanuel; Overgaard, Jacob; Hathwar, Venkatesha R.; Macchi, Piero; Turner, Michael J.; Howard, Judith A. K.; Dolomanov, Oleg V.; Puschmann, Horst; Iversen, Bo B.; Bürgi, Hans-Beat; Grabowsky, Simon (2018). Probing the accuracy and precision of Hirshfeld atom refinement with HARt interfaced with Olex2. IUCrJ, 5(1), pp. 32-44. International Union of Crystallography 10.1107/S2052252517015548
Hupf, Emanuel; Olaru, Marian; Raţ, Ciprian I.; Fugel, Malte; Hübschle, Christian B.; Lork, Enno; Grabowsky, Simon; Mebs, Stefan; Beckmann, Jens (2017). Mapping the Trajectory of Nucleophilic Substitution at Silicon Using a peri-Substituted Acenaphthyl Scaffold. Chemistry - a European journal, 23(44), pp. 10568-10579. Wiley-VCH 10.1002/chem.201700992
Beckmann, Jens; Do, Truong Giang; Grabowsky, Simon; Hupf, Emanuel; Lork, Enno; Mebs, Stefan (2013). Peri-Interactions in 8-Diphenylphosphino-1-bromonaphthalene, 6-Diphenylphosphino-5-bromoacenaphthene, and Derivatives. Zeitschrift für anorganische und allgemeine Chemie, 639(12-13), pp. 2233-2249. Wiley-VCH 10.1002/zaac.201300272
