Kjell Jorner
Kjell Jorner
Assistant Professor of Digital Chemistry, ETH Zurich
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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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
Triplet state homoaromaticity: concept, computational validation and experimental relevance
K Jorner, BO Jahn, P Bultinck, H Ottosson
Chemical Science 9 (12), 3165-3176, 2018
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
Substituent Effects in Chain‐Breaking Aryltellurophenol Antioxidants
J Poon, J Yan, K Jorner, H Ottosson, C Donau, VP Singh, PJ Gates, ...
Chemistry–A European Journal 24 (14), 3520-3527, 2018
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