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 | 315 | 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 | 159 | 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 | 124 | 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 | 114 | 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 | 95 | 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 | 84 | 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 | 76 | 2017 |
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 | 72 | 2015 |
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 | 72 | 2014 |
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 | 65 | 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 | 53 | 2021 |
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 | 51 | 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 | 51 | 2013 |
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 | 41 | 2022 |
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 | 36 | 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 | 34 | 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 |
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 | 22 | 2023 |
Exploiting the Aromatic Chameleon Character of Fulvenes for Computational Design of Baird‐Aromatic Triplet Ground State Compounds S Yadav, O El Bakouri, K Jorner, H Tong, C Dahlstrand, M Solà, ... Chemistry–An Asian Journal 14 (10), 1870-1878, 2019 | 20 | 2019 |
Triplet state homoaromaticity: concept, computational validation and experimental relevance K Jorner, BO Jahn, P Bultinck, H Ottosson Chemical Science 9 (12), 3165-3176, 2018 | 20 | 2018 |