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Fugel, Malte; Dittmer, Anneke; Kleemiss, Florian; Grabowsky, Simon (2021). On the Role of Hydrogen Bonding in Gas-Phase S N 2 Reactions at Silicon. Journal of physical chemistry. A, 125(19), pp. 4070-4078. American Chemical Society 10.1021/acs.jpca.1c00601
Kleemiss, Florian; Puylaert, Pim; Duvinage, Daniel; Fugel, Malte; Sugimoto, Kunihisa; Beckmann, Jens; Grabowsky, Simon (2021). Ibuprofen and sila-ibuprofen: polarization effects in the crystal and enzyme environments. Acta crystallographica Section B, 77(6), pp. 892-905. International Union of Crystallography 10.1107/S2052520621009379
Kleemiss, Florian; Justies, Aileen; Duvinage, Daniel; Watermann, Patrick; Ehrke, Eric; Sugimoto, Kunihisa; Fugel, Malte; Malaspina, Lorraine A.; Dittmer, Anneke; Kleemiss, Torsten; Puylaert, Pim; King, Nelly R.; Staubitz, Anne; Tzschentke, Thomas M.; Dringen, Ralf; Grabowsky, Simon; Beckmann, Jens (2020). Sila-Ibuprofen. Journal of medicinal chemistry, 63(21), pp. 12614-12622. American Chemical Society 10.1021/acs.jmedchem.0c00813
Schlüter, Dirk; Kleemiss, Florian; Fugel, Malte; Lork, Enno; Sugimoto, Kunihisa; Grabowsky, Simon; Harmer, Jeffrey R.; Vogt, Matthias (2020). Non‐Oxido‐Vanadium(IV) Metalloradical Complexes with Bidentate 1,2‐Dithienylethene Ligands – Observation of Reversible Cyclization of the Ligand Scaffold in Solution. Chemistry - a European journal, 26(6), pp. 1335-1343. Wiley-VCH 10.1002/chem.201904103
Fugel, Malte; Ponomarenko, Maksym V.; Hesse, Maxie F.; Malaspina, Lorraine A.; Kleemiss, Florian; Sugimoto, Kunihisa; Genoni, Alessandro; Röschenthaler, Gerd-Volker; Grabowsky, Simon (2019). Complementary bonding analysis of the N–Si interaction in pentacoordinated silicon compounds using quantum crystallography. Dalton transactions, 48(43), pp. 16330-16339. Royal Society of Chemistry 10.1039/C9DT02772F
Fugel, Malte; Malaspina, Lorraine A.; Pal, Rumpa; Thomas, Sajesh P.; Shi, Ming W.; Spackman, Mark A.; Sugimoto, Kunihisa; Grabowsky, Simon (2019). Revisiting a Historical Concept by Using Quantum Crystallography: Are Phosphate, Sulfate and Perchlorate Anions Hypervalent? Chemistry - a European journal, 25(26), pp. 6523-6532. Wiley-VCH 10.1002/chem.201806247
Köhling, Jonas; Kozel, Volodymyr; Jovanov, Vladislav; Pajkert, Romana; Tverdomed, Sergey N.; Gridenco, Oleg; Fugel, Malte; Grabowsky, Simon; Röschenthaler, Gerd-Volker; Wagner, Veit (2019). Synthesis and Characterization of Oxazaborinin Phosphonate for Blue OLED Emitter Applications. ChemPhysChem, 20(5), pp. 665-671. Wiley-VCH 10.1002/cphc.201801087
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
Fugel, Malte; Hesse, Maxie F.; Pal, Rumpa; Beckmann, Jens; Jayatilaka, Dylan; Turner, Michael J.; Karton, Amir; Bultinck, Patrick; Chandler, Graham S.; Grabowsky, Simon (2018). Covalency and Ionicity Do Not Oppose Each Other-Relationship Between Si−O Bond Character and Basicity of Siloxanes. Chemistry - a European journal, 24(57), pp. 15275-15286. Wiley-VCH 10.1002/chem.201802197
Fugel, Malte; Beckmann, Jens; Jayatilaka, Dylan; Gibbs, Gerald V.; Grabowsky, Simon (2018). A Variety of Bond Analysis Methods, One Answer? An Investigation of the Element−Oxygen Bond of Hydroxides HnXOH. Chemistry - a European journal, 24(23), pp. 6248-6261. Wiley-VCH 10.1002/chem.201800453
Fugel, Malte; Kleemiss, Florian; Malaspina, Lorraine A.; Pal, Rumpa; Spackman, Peter R.; Jayatilaka, Dylan; Grabowsky, Simon (2018). Investigating the Resonance in Nitric Acid and the Nitrate Anion Based on a Modern Bonding Analysis. Australian journal of chemistry, 71(4), pp. 227-237. CSIRO Publishing 10.1071/CH17583
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
