Accurate crystal structures and chemical properties from NoSpherA2 F Kleemiss, OV Dolomanov, M Bodensteiner, N Peyerimhoff, L Midgley, ... Chemical Science 12 (5), 1675-1692, 2021 | 183 | 2021 |
A small cationic organo–copper cluster as thermally robust highly photo-and electroluminescent material M Olaru, E Rychagova, S Ketkov, Y Shynkarenko, S Yakunin, ... Journal of the American Chemical Society 142 (1), 373-381, 2019 | 82 | 2019 |
Superelectrophilic Behavior of an Anion Demonstrated by the Spontaneous Binding of Noble Gases to [B12Cl11]− M Rohdenburg, M Mayer, M Grellmann, C Jenne, T Borrmann, F Kleemiss, ... Angewandte Chemie International Edition 56 (27), 7980-7985, 2017 | 60 | 2017 |
Fast and accurate quantum crystallography: from small to large, from light to heavy LA Malaspina, EK Wieduwilt, J Bergmann, F Kleemiss, B Meyer, ... The journal of physical chemistry letters 10 (22), 6973-6982, 2019 | 58 | 2019 |
Chemical bonding in polarised push–pull ethylenes H Yanai, T Suzuki, F Kleemiss, H Fukaya, Y Dobashi, LA Malaspina, ... Angewandte Chemie International Edition 58 (26), 8839-8844, 2019 | 25 | 2019 |
Vanishing of the atomic form factor derivatives in non-spherical structural refinement–a key approximation scrutinized in the case of Hirshfeld atom refinement L Midgley, LJ Bourhis, OV Dolomanov, S Grabowsky, F Kleemiss, ... Acta Crystallographica Section A: Foundations and Advances 77 (6), 519-533, 2021 | 19 | 2021 |
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 |
Nature of Bonding in Donor–Acceptor Interactions Exemplified by Complexes of N‐Heterocyclic Carbenes with 1, 2, 5‐Telluradiazoles NA Pushkarevsky, PA Petrov, DS Grigoriev, AI Smolentsev, LM Lee, ... Chemistry–A European Journal 23 (46), 10987-10991, 2017 | 19 | 2017 |
Proximity Enforced Agostic Interactions Involving Closed-Shell Coinage Metal Ions E Hupf, LA Malaspina, S Holsten, F Kleemiss, AJ Edwards, JR Price, ... Inorganic chemistry 58 (24), 16372-16378, 2019 | 17 | 2019 |
Superelektrophiles Verhalten eines Anions demonstriert durch spontane Bindung von Edelgasen an [B12Cl11]− M Rohdenburg, M Mayer, M Grellmann, C Jenne, T Borrmann, F Kleemiss, ... Angewandte Chemie 129 (27), 8090-8096, 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 |
Relativistic Hirshfeld atom refinement of an organo-gold (I) compound S Pawlędzio, M Malinska, M Woińska, J Wojciechowski, ... IUCrJ 8 (4), 608-620, 2021 | 12 | 2021 |
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 |
Similarities and differences between crystal and enzyme environmental effects on the electron density of drug molecules F Kleemiss, EK Wieduwilt, E Hupf, MW Shi, SG Stewart, D Jayatilaka, ... Chemistry–A European Journal 27 (10), 3407-3419, 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 |
Aspherical atom refinements on X-ray data of diverse structures including disordered and covalent organic framework systems: a time–accuracy trade-off KK Jha, F Kleemiss, ML Chodkiewicz, PM Dominiak Journal of Applied Crystallography 56 (1), 116-127, 2023 | 6 | 2023 |
Refinement of anomalous dispersion correction parameters in single-crystal structure determinations F Meurer, OV Dolomanov, C Hennig, N Peyerimhoff, F Kleemiss, ... IUCrJ 9 (5), 604-609, 2022 | 6 | 2022 |
Different Reactivities of (5-Ph2P-Ace-6-)2MeSiH toward the Rhodium(I) Chlorides [(C2H4)2RhCl]2 and [(CO)2RhCl]2. Hirshfeld Atom Refinement of a Rh–H … S Holsten, LA Malaspina, F Kleemiss, S Mebs, E Hupf, S Grabowsky, ... Organometallics 40 (13), 2027-2038, 2021 | 6 | 2021 |
Influence of modelling disorder on Hirshfeld atom refinement results of an organo-gold (I) compound S Pawlędzio, M Malinska, F Kleemiss, S Grabowsky, K Woźniak IUCrJ 9 (4), 497-507, 2022 | 5 | 2022 |
The effects of experimentally obtained electron correlation and polarization on electron densities and exchange-correlation potentials E Hupf, F Kleemiss, T Borrmann, R Pal, JM Krzeszczakowska, M Woińska, ... The Journal of Chemical Physics 158 (12), 2023 | 4 | 2023 |