| Hydrogen atoms can be located accurately and precisely by x-ray crystallography M Woińska, S Grabowsky, PM Dominiak, K Woźniak, D Jayatilaka Science advances 2 (5), e1600192, 2016 | 270 | 2016 |
| 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 | 223 | 2021 |
| 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 | 61 | 2019 |
| New Charge‐Transfer Complexes with 1, 2, 5‐Thiadiazoles as Both Electron Acceptors and Donors Featuring an Unprecedented Addition Reaction Elena A Chulanova, Elena A Pritchina, Lorraine A Malaspina, Simon Grabowsky ... Chemistry-A European Journal 23 (4), 852–864, 2017 | 36 | 2017 |
| New Charge‐Transfer Complexes with 1, 2, 5‐Thiadiazoles as Both Electron Acceptors and Donors Featuring an Unprecedented Addition Reaction EA Chulanova, EA Pritchina, LA Malaspina, S Grabowsky, F Mostaghimi, ... Chemistry-A European Journal, 2016 | 36 | 2016 |
| 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 | 32 | 2019 |
| Hydrogen atoms in bridging positions from quantum crystallographic refinements: Influence of hydrogen atom displacement parameters on geometry and electron density LA Malaspina, AA Hoser, AJ Edwards, M Woińska, MJ Turner, JR Price, ... CrystEngComm 22 (28), 4778-4789, 2020 | 29 | 2020 |
| Post-Hartree-Fock methods for Hirshfeld atom refinement: are they necessary? Investigation of a strongly hydrogen-bonded molecular crystal EK Wieduwilt, G Macetti, LA Malaspina, D Jayatilaka, S Grabowsky, ... Journal of Molecular Structure 1209, 127934, 2020 | 28 | 2020 |
| 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 |
| Predicting the position of the hydrogen atom in the short intramolecular hydrogen bond of the hydrogen maleate anion from geometric correlations LA Malaspina, AJ Edwards, M Woińska, D Jayatilaka, MJ Turner, JR Price, ... Crystal growth & design 17 (7), 3812-3825, 2017 | 23 | 2017 |
| Sila-ibuprofen F Kleemiss, A Justies, D Duvinage, P Watermann, E Ehrke, K Sugimoto, ... Journal of Medicinal Chemistry 63 (21), 12614-12622, 2020 | 22 | 2020 |
| 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 | 19 | 2019 |
| Linear MgCp*2 vs Bent CaCp*2: London Dispersion, Ligand-Induced Charge Localizations, and Pseudo-Pregostic C–H···Ca Interactions R Pal, S Mebs, MW Shi, D Jayatilaka, JM Krzeszczakowska, ... Inorganic chemistry 57 (9), 4906-4920, 2018 | 19 | 2018 |
| 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 | 17 | 2019 |
| Investigating complex magnetic anisotropy in a Co (II) molecular compound: A charge density and correlated ab initio electronic structure study E Damgaard-Møller, L Krause, H Lassen, LA Malaspina, S Grabowsky, ... Inorganic chemistry 59 (18), 13190-13200, 2020 | 16 | 2020 |
| lamaGOET: an interface for quantum crystallography LA Malaspina, A Genoni, S Grabowsky Journal of applied crystallography 54 (3), 987-995, 2021 | 15 | 2021 |
| Relativistic Hirshfeld atom refinement of an organo-gold (I) compound S Pawlędzio, M Malinska, M Woińska, J Wojciechowski, ... IUCrJ 8 (4), 608-620, 2021 | 14 | 2021 |
| The advanced treatment of hydrogen bonding in quantum crystallography LA Malaspina, A Genoni, D Jayatilaka, MJ Turner, K Sugimoto, ... Journal of applied crystallography 54 (3), 718-729, 2021 | 14 | 2021 |
| Intramolecular Reaction of Transient Phosphenium and Arsenium Ions Giving Rise to Isolable 9‐Phospha‐and 9‐Arsena‐Fluorenium Ions M Olaru, D Duvinage, Y Naß, LA Malaspina, S Mebs, J Beckmann Angewandte Chemie International Edition 59 (34), 14414-14417, 2020 | 13 | 2020 |
| Unmasking the constitution and bonding of the proposed lithium nickelate “Li 3 NiPh 3 (solv) 3”: revealing the hidden C 6 H 4 ligand RJ Somerville, AM Borys, M Perez-Jimenez, A Nova, D Balcells, ... Chemical Science 13 (18), 5268-5276, 2022 | 12 | 2022 |
