| Tuning the Dihydroazulene–Vinylheptafulvene Couple for Storage of Solar Energy MB Nielsen, N Ree, KV Mikkelsen, M Cacciarini Успехи химии 89, 573, 2020 | 57 | 2020 |
| Norbornadiene–dihydroazulene conjugates MD Kilde, M Mansø, N Ree, AU Petersen, K Moth-Poulsen, KV Mikkelsen, ... Organic & Biomolecular Chemistry 17 (33), 7735-7746, 2019 | 35 | 2019 |
| Density Functional Theory Study of the Solvent Effects on Systematically Substituted Dihydroazulene/Vinylheptafulvene Systems: Improving the Capability of Molecular Energy Storage N Ree, MH Hansen, AS Gertsen, KV Mikkelsen The Journal of Physical Chemistry A, 2017 | 23 | 2017 |
| RegioSQM20: improved prediction of the regioselectivity of electrophilic aromatic substitutions N Ree, AH Göller, JH Jensen Journal of cheminformatics 13, 1-9, 2021 | 20 | 2021 |
| The quest for determining one-electron redox potentials of azulene-1-carbonitriles by calculation N Ree, CL Andersen, MD Kilde, O Hammerich, MB Nielsen, KV Mikkelsen Physical Chemistry Chemical Physics 20 (11), 7438-7446, 2018 | 18 | 2018 |
| RegioML: predicting the regioselectivity of electrophilic aromatic substitution reactions using machine learning N Ree, AH Göller, JH Jensen Digital Discovery 1 (2), 108-114, 2022 | 17 | 2022 |
| Photo-and collision-induced isomerization of a charge-tagged norbornadiene–quadricyclane system U Jacovella, E Carrascosa, JT Buntine, N Ree, KV Mikkelsen, M Jevric, ... The Journal of Physical Chemistry Letters 11 (15), 6045-6050, 2020 | 17 | 2020 |
| Excited‐State Topology Modifications of the Dihydroazulene Photoswitch Through Aromaticity AB Skov, N Ree, AS Gertsen, P Chabera, J Uhlig, JS Lissau, L Nucci, ... ChemPhotoChem 3 (8), 619-629, 2019 | 17 | 2019 |
| Virtual screening of norbornadiene-based molecular solar thermal energy storage systems using a genetic algorithm N Ree, M Koerstz, KV Mikkelsen, JH Jensen The Journal of Chemical Physics 155 (18), 2021 | 14 | 2021 |
| Benchmark study on the optical and thermochemical properties of the norbornadiene-quadricyclane photoswitch N Ree, KV Mikkelsen Chemical Physics Letters 779, 138665, 2021 | 12 | 2021 |
| Automated quantum chemistry for estimating nucleophilicity and electrophilicity with applications to retrosynthesis and covalent inhibitors N Ree, AH Göller, JH Jensen Digital Discovery 3 (2), 347-354, 2024 | 9 | 2024 |
| What the Heck?─ Automated Regioselectivity Calculations of Palladium-catalyzed Heck Reactions Using Quantum Chemistry N Ree, AH Göller, JH Jensen ACS omega 7 (49), 45617-45623, 2022 | 5 | 2022 |
| Excited state dynamics and conjugation effects of the photoisomerization reactions of dihydroazulene AE Hillers-Bendtsen, FØ Kjeldal, N Ree, E Matito, KV Mikkelsen Physical Chemistry Chemical Physics 24 (47), 28934-28943, 2022 | 3 | 2022 |
| pKalculator: A pKa predictor for CH bonds RM Borup, N Ree, J Jensen | 2 | 2024 |
| Martina Cacciarini MB Nielsen, N Ree, KV Mikkelsen Успехи химии 89, 573-586, 2020 | 1 | 2020 |
| Graphical user interface for an easy and reliable construction of input files to CP2K AL Vishart, N Ree, KV Mikkelsen Journal of Molecular Modeling 25, 1-10, 2019 | 1 | 2019 |
| Using Polarized Spectroscopy to Investigate Order in Thin-Films of Ionic Self-Assembled Materials Based on Azo-Dyes MT Kühnel, M Ahmad, F Andersen, ÁB Bech, HKL Bendixen, ... Nanomaterials 8 (2), 109, 2018 | 1 | 2018 |
| Enhancing Chemical Synthesis Planning: Automated Quantum Mechanics-Based Regioselectivity Prediction for CH Activation with Directing Groups J Seumer, N Ree, JH Jensen | | 2025 |
| Predicting CH activation through hydride affinity and homolytic bond dissociation energies RM Borup, N Ree, JH Jensen | | 2024 |
| Atom-Based Machine Learning for Estimating Nucleophilicity and Electrophilicity with Applications to Retrosynthesis and Chemical Stability N Ree, JM Wollschläger, AH Göller, JH Jensen | | 2024 |
Kurt V. MikkelsenProfessor of Theoretical Chemistry, Department of Chemistry, University of CopenhagenVerified email at chem.ku.dk
