Jan Halborg Jensen

Jan Halborg Jensen

Professor

Member of:

    ORCID: 0000-0002-1465-1010

    Publication year:
    All
    1 - 10 out of 80Page 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. 2023
    4. Published

      Computational Evolution Of New Catalysts For The Morita–Baylis–Hillman Reaction

      Seumer, Julius Johannes, Hansen, Jonathan Kirschner Solberg, Nielsen, Mogens Brøndsted & Jensen, Jan Halborg, 2023, In: Angewandte Chemie. 135, 18, 8 p., e202218565.

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

    5. Published

      Do machines dream of atoms? Crippen's logP as a quantitative molecular benchmark for explainable AI heatmaps

      Rasmussen, Maria Harris, Christensen, D. S. & Jensen, Jan Halborg, 2023, In: SciPost Chemistry. 2, 1, 25 p.

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

    6. Published

      Genetic algorithm-based re-optimization of the Schrock catalyst for dinitrogen fixation

      Strandgaard, Magnus, Seumer, Julius Johannes, Benediktsson, B., Bhowmik, A., Vegge, T. & Jensen, Jan Halborg, 2023, In: PeerJ Physical Chemistry. 5, 17 p., e30.

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

    7. Published

      Toward De Novo Catalyst Discovery: Fast Identification of New Catalyst Candidates for Alcohol-Mediated Morita–Baylis–Hillman Reactions**

      Rasmussen, Maria Harris, Seumer, Julius Johannes & Jensen, Jan Halborg, 2023, In: Angewandte Chemie - International Edition. 62, 49, 9 p., e202310580.

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

    8. Published

      Uncertain of uncertainties? A comparison of uncertainty quantification metrics for chemical data sets

      Rasmussen, Maria Harris, Duan, C., Kulik, H. J. & Jensen, Jan Halborg, 2023, In: Journal of Cheminformatics. 15, 1, 17 p., 121.

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

    9. 2022
    10. 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

    11. Published

      Substituent Control of σ-Interference Effects in the Transmission of Saturated Molecules

      Garner, M. H., Koerstz, M., Jensen, Jan Halborg & Solomon, Gemma C., 14 Apr 2022, In: ACS Physical Chemistry Au. 2, 4, p. 282-288 7 p.

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

    12. Published

      A Neural Network Approach for Property Determination of Molecular Solar Cell Candidates

      Christensen, Oliver, Schlosser, Rasmus Dalsgaard, Nielsen, R. B., Johansen, J., Koerstz, M., Jensen, Jan Halborg & Mikkelsen, Kurt Valentin, 2022, In: Journal of Physical Chemistry A. 126, 10, p. 8 1681 p.

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

    13. Published

      Fast and automated identification of reactions with low barriers using meta-MD simulations

      Rasmussen, Maria Harris & Jensen, Jan Halborg, 2022, In: PeerJ Physical Chemistry. 4, 17 p.

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

    Previous 1 2 3 4 5 6 7 8 Next

    ID: 4057