Probing the accuracy and precision of Hirshfeld atom refinement with HARt interfaced with Olex2 M Fugel, D Jayatilaka, E Hupf, J Overgaard, VR Hathwar, P Macchi, ... IUCrJ 5 (1), 32-44, 2018 | 83* | 2018 |
Covalency and Ionicity Do Not Oppose Each Other—Relationship Between Si− O Bond Character and Basicity of Siloxanes M Fugel, MF Hesse, R Pal, J Beckmann, D Jayatilaka, MJ Turner, ... Chemistry–A European Journal 24 (57), 15275-15286, 2018 | 45 | 2018 |
A Variety of Bond Analysis Methods, One Answer? An Investigation of the Element−Oxygen Bond of Hydroxides HnXOH M Fugel, J Beckmann, D Jayatilaka, GV Gibbs, S Grabowsky Chemistry–A European Journal 24 (23), 6248-6261, 2018 | 40 | 2018 |
Mapping the Trajectory of Nucleophilic Substitution at Silicon Using a peri‐Substituted Acenaphthyl Scaffold E Hupf, M Olaru, CI Raţ, M Fugel, CB Hübschle, E Lork, S Grabowsky, ... Chemistry–A European Journal 23 (44), 10568-10579, 2017 | 30 | 2017 |
Revisiting a historical concept by using quantum crystallography: are phosphate, sulfate and perchlorate anions hypervalent? M Fugel, LA Malaspina, R Pal, SP Thomas, MW Shi, MA Spackman, ... Chemistry–A European Journal 25 (26), 6523-6532, 2019 | 28 | 2019 |
Sila-ibuprofen F Kleemiss, A Justies, D Duvinage, P Watermann, E Ehrke, K Sugimoto, ... Journal of medicinal chemistry 63 (21), 12614-12622, 2020 | 19 | 2020 |
A corresponding-states analysis of the liquid-vapor equilibrium properties of common water models M Fugel, VC Weiss The Journal of Chemical Physics 146 (6), 2017 | 14 | 2017 |
Complementary bonding analysis of the N–Si interaction in pentacoordinated silicon compounds using quantum crystallography M Fugel, MV Ponomarenko, MF Hesse, LA Malaspina, F Kleemiss, ... Dalton Transactions 48 (43), 16330-16339, 2019 | 13 | 2019 |
Synthesis and Characterization of Oxazaborinin Phosphonate for Blue OLED Emitter Applications J Köhling, V Kozel, V Jovanov, R Pajkert, SN Tverdomed, O Gridenco, ... ChemPhysChem 20 (5), 665-671, 2019 | 11 | 2019 |
On the Role of Hydrogen Bonding in Gas-Phase SN2 Reactions at Silicon M Fugel, A Dittmer, F Kleemiss, S Grabowsky The Journal of Physical Chemistry A 125 (19), 4070-4078, 2021 | 9 | 2021 |
Investigating the resonance in nitric acid and the nitrate anion based on a modern bonding analysis M Fugel, F Kleemiss, LA Malaspina, R Pal, PR Spackman, D Jayatilaka, ... Australian Journal of Chemistry 71 (4), 227-237, 2018 | 9 | 2018 |
IUCrJ, 5, 32–44 M Fugel, D Jayatilaka, E Hupf, J Overgaard, VR Hathwar, P Macchi, ... Web of Science CSD CrossRef CAS PubMed IUCr Journals, 2018 | 6 | 2018 |
Ibuprofen and sila-ibuprofen: polarization effects in the crystal and enzyme environments F Kleemiss, P Puylaert, D Duvinage, M Fugel, K Sugimoto, J Beckmann, ... Acta Crystallographica Section B: Structural Science, Crystal Engineering …, 2021 | 3 | 2021 |
Non‐Oxido‐Vanadium (IV) Metalloradical Complexes with Bidentate 1, 2‐Dithienylethene Ligands: Observation of Reversible Cyclization of the Ligand Scaffold in Solution D Schlüter, F Kleemiss, M Fugel, E Lork, K Sugimoto, S Grabowsky, ... Chemistry–A European Journal 26 (6), 1335-1343, 2020 | 2 | 2020 |
Front Cover: Revisiting a Historical Concept by Using Quantum Crystallography: Are Phosphate, Sulfate and Perchlorate Anions Hypervalent?(Chem. Eur. J. 26/2019) M Fugel, LA Malaspina, R Pal, SP Thomas, MW Shi, MA Spackman, ... Chemistry–A European Journal 25 (26), 6455-6455, 2019 | | 2019 |