Nicolai Ree

Nicolai Ree

Postdoc


Publication year:
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1 - 10 out of 16Page size: 10
  1. 2024
  2. Published

    Automated quantum chemistry for estimating nucleophilicity and electrophilicity with applications to retrosynthesis and covalent inhibitors

    Ree, Nicolai, Göller, A. H. & Jensen, Jan Halborg, 2024, In: Digital Discovery. 3, 2, p. 347-354 8 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  3. Published

    pKalculator: A pKa predictor for C–H bonds

    Borup, Rasmus Mejborg, Ree, Nicolai & Jensen, Jan Halborg, 2024, In: Beilstein Journal of Organic Chemistry. 20, p. 1614-1622 9 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  4. 2022
  5. Published

    What the Heck?-Automated Regioselectivity Calculations of Palladium-Catalyzed Heck Reactions Using Quantum Chemistry

    Ree, Nicolai, Goeller, A. H. & Jensen, Jan Halborg, 2 Dec 2022, In: ACS Omega. 7, 49, p. 45617–45623 7 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  6. Published

    Excited state dynamics and conjugation effects of the photoisomerization reactions of dihydroazulene

    Hillers-Bendtsen, Andreas Erbs, Kjeldal, F. Ø., Ree, Nicolai, Matito, E. & Mikkelsen, Kurt Valentin, 2022, In: Physical Chemistry Chemical Physics. 24, 47, p. 28934-28943 10 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  7. Published

    RegioML: predicting the regioselectivity of electrophilic aromatic substitution reactions using machine learning

    Ree, Nicolai, Göller, A. H. & Jensen, Jan Halborg, 2022, In: Digital Discovery. 1, 2, p. 108-114 7 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  8. 2021
  9. Published

    RegioSQM20: improved prediction of the regioselectivity of electrophilic aromatic substitutions

    Ree, Nicolai, Göller, A. H. & Jensen, Jan Halborg, 1 Dec 2021, In: Journal of Cheminformatics. 13, 1, 9 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  10. Published

    Virtual screening of norbornadiene-based molecular solar thermal energy storage systems using a genetic algorithm

    Ree, Nicolai, Koerstz, M., Mikkelsen, Kurt Valentin & Jensen, Jan Halborg, 14 Nov 2021, In: Journal of Chemical Physics. 155, 18, 7 p., 184105.

    Research output: Contribution to journal › Journal article › Research › peer-review

  11. Published

    Benchmark study on the optical and thermochemical properties of the norbornadiene-quadricyclane photoswitch

    Ree, Nicolai & Mikkelsen, Kurt Valentin, 1 Sep 2021, In: Chemical Physics Letters. 779, 6 p., 138665.

    Research output: Contribution to journal › Journal article › Research › peer-review

  12. 2020
  13. Published

    Photo- and Collision-Induced Isomerization of a Charge-Tagged Norbornadiene–Quadricyclane System

    Jacovella, U., Carrascosa, E., Buntine, J. T., Ree, Nicolai, Mikkelsen, Kurt Valentin, Jevric, M., Moth-poulsen, K. & Bieske, E. J., 6 Aug 2020, In: The Journal of Physical Chemistry Letters. 11, 15, p. 6045-6050 6 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  14. Published

    Tuning the dihydroazulene–vinylheptafulvene couple for storage of solar energy

    Nielsen, Mogens Brøndsted, Ree, Nicolai, Mikkelsen, Kurt Valentin & Cacciarini, M., 2020, In: Russian Chemical Reviews. 89, 5, p. 573-586

    Research output: Contribution to journal › Journal article › Research › peer-review

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