| Diindeno-fusion of an anthracene as a design strategy for stable organic biradicals GE Rudebusch, JL Zafra, K Jorner, K Fukuda, JL Marshall, ... Nature Chemistry 8 (8), 753-759, 2016 | 336 | 2016 |
| A comprehensive discovery platform for organophosphorus ligands for catalysis T Gensch, G dos Passos Gomes, P Friederich, E Peters, T Gaudin, ... Journal of the American Chemical Society 144 (3), 1205-1217, 2022 | 200 | 2022 |
| Machine learning meets mechanistic modelling for accurate prediction of experimental activation energies K Jorner, T Brinck, PO Norrby, D Buttar Chemical Science 12 (3), 1163-1175, 2021 | 147 | 2021 |
| Organic reactivity from mechanism to machine learning K Jorner, A Tomberg, C Bauer, C Sköld, PO Norrby Nature Reviews Chemistry 5 (4), 240-255, 2021 | 134 | 2021 |
| Energetics of Baird aromaticity supported by inversion of photoexcited chiral [4n]annulene derivatives M Ueda, K Jorner, YM Sung, T Mori, Q Xiao, D Kim, H Ottosson, T Aida, ... Nature communications 8 (1), 346, 2017 | 97 | 2017 |
| Unraveling factors leading to efficient norbornadiene–quadricyclane molecular solar-thermal energy storage systems K Jorner, A Dreos, R Emanuelsson, O El Bakouri, IF Galvan, K Börjesson, ... Journal of Materials Chemistry A 5 (24), 12369-12378, 2017 | 97 | 2017 |
| Can Baird’s and Clar’s Rules Combined Explain Triplet State Energies of Polycyclic Conjugated Hydrocarbons with Fused 4nπ- and (4n + 2)π-Rings? R Ayub, OE Bakouri, K Jorner, M Solà, H Ottosson The Journal of Organic Chemistry 82 (12), 6327-6340, 2017 | 81 | 2017 |
| Impact of ground‐and excited‐state aromaticity on cyclopentadiene and silole excitation energies and excited‐state polarities K Jorner, R Emanuelsson, C Dahlstrand, H Tong, AV Denisova, ... Chemistry–A European Journal 20 (30), 9295-9303, 2014 | 74 | 2014 |
| The Missing C1–C5 Cycloaromatization Reaction: Triplet State Antiaromaticity Relief and Self-Terminating Photorelease of Formaldehyde for Synthesis of … RK Mohamed, S Mondal, K Jorner, TF Delgado, VV Lobodin, H Ottosson, ... Journal of the American Chemical Society 137 (49), 15441-15450, 2015 | 73 | 2015 |
| Metal-free photochemical silylations and transfer hydrogenations of benzenoid hydrocarbons and graphene R Papadakis, H Li, J Bergman, A Lundstedt, K Jorner, R Ayub, S Haldar, ... Nature Communications 7 (1), 12962, 2016 | 67 | 2016 |
| Artificial intelligence and automation in computer aided synthesis planning A Thakkar, S Johansson, K Jorner, D Buttar, JL Reymond, O Engkvist Reaction chemistry & engineering 6 (1), 27-51, 2021 | 62 | 2021 |
| Three-Dimensional Fully π-Conjugated Macrocycles: When 3D-Aromatic and When 2D-Aromatic-in-3D? O El Bakouri, DW Szczepanik, K Jorner, R Ayub, P Bultinck, M Solà, ... Journal of the American Chemical Society 144 (19), 8560-8575, 2022 | 53 | 2022 |
| An SCC-DFTB Repulsive Potential for Various ZnO Polymorphs and the ZnO–Water System M Hellström, K Jorner, M Bryngelsson, SE Huber, J Kullgren, ... The Journal of Physical Chemistry C 117 (33), 17004-17015, 2013 | 53 | 2013 |
| Charge transfer through cross-hyperconjugated versus cross-π-conjugated bridges: an intervalence charge transfer study E Göransson, R Emanuelsson, K Jorner, TF Markle, L Hammarström, ... Chemical Science 4 (9), 3522-3532, 2013 | 53 | 2013 |
| Fast evaluation of the adsorption energy of organic molecules on metals via graph neural networks S Pablo-García, S Morandi, RA Vargas-Hernández, K Jorner, Ž Ivković, ... Nature Computational Science 3 (5), 433-442, 2023 | 45 | 2023 |
| Analysis of a compound class with triplet states stabilized by potentially Baird aromatic [10] annulenyl dicationic rings K Jorner, F Feixas, R Ayub, R Lindh, M Solà, H Ottosson Chemistry–A European Journal 22 (8), 2793-2800, 2016 | 40 | 2016 |
| Unraveling excited-singlet-state aromaticity via vibrational analysis J Oh, YM Sung, H Mori, S Park, K Jorner, H Ottosson, M Lim, A Osuka, ... Chem 3 (5), 870-880, 2017 | 37 | 2017 |
| White‐Light Photoassisted Covalent Functionalization of Graphene Using 2‐Propanol A Lundstedt, R Papadakis, H Li, Y Han, K Jorner, J Bergman, K Leifer, ... Small Methods 1 (11), 1700214, 2017 | 27 | 2017 |
| Tartarus: A benchmarking platform for realistic and practical inverse molecular design AK Nigam, R Pollice, G Tom, K Jorner, J Willes, L Thiede, A Kundaje, ... Advances in Neural Information Processing Systems 36, 3263-3306, 2023 | 25 | 2023 |
| Reaction profiles for quantum chemistry-computed [3+ 2] cycloaddition reactions T Stuyver, K Jorner, CW Coley Scientific Data 10 (1), 66, 2023 | 21 | 2023 |
