Jan Halborg Jensen

Jan Halborg Jensen

Professor

Member of:

    ORCID: 0000-0002-1465-1010

    Publication year:
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    21 - 30 out of 82Page size: 10
    1. 2019
    2. Published

      A graph-based genetic algorithm and generative model/Monte Carlo tree search for the exploration of chemical space

      Jensen, Jan Halborg, 2019, In: Chemical Science. 10, 12, p. 3567-3572

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

    3. 2018
    4. Published

      Improving solvation energy predictions using the SMD solvation method and semiempirical electronic structure methods

      Kromann, J. C., Steinmann, C. & Jensen, Jan Halborg, 14 Sep 2018, In: Journal of Chemical Physics. 149, 10, 8 p., 104102 .

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

    5. Published

      Empirical corrections and pair interaction energies in the fragment molecular orbital method

      Fedorov, D. G., Kromann, J. C. & Jensen, Jan Halborg, 2018, In: Chemical Physics Letters. 706, p. 328-333 6 p.

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

    6. Published

      Fast and accurate prediction of the regioselectivity of electrophilic aromatic substitution reactions

      Kromann, J. C., Jensen, Jan Halborg, Kruszyk, M., Jessing, M. & Jørgensen, M., 2018, In: Chemical Science. 9, 3, p. 660-665 6 p.

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

    7. Published

      Random versus Systematic Errors in Reaction Enthalpies Computed Using Semiempirical and Minimal Basis Set Methods

      Kromann, J. C., Welford, A., Christensen, A. S. & Jensen, Jan Halborg, 2018, In: ACS Omega. 3, 4, p. 4372-4377 6 p.

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

    8. Published

      The Bicyclo[2.2.2]octane Motif: A Class of Saturated Group 14 Quantum Interference Based Single-Molecule Insulators

      Garner, M. H., Koerstz, M., Jensen, Jan Halborg & Solomon, Gemma C., 2018, In: The Journal of Physical Chemistry Letters. 9, 24, p. 6941-6947 7 p.

      Research output: Contribution to journal › Letter › Research › peer-review

    9. 2017
    10. Published

      Intermolecular interactions in the condensed phase: Evaluation of semi-empirical quantum mechanical methods

      Christensen, A. S., Kromann, J. C., Jensen, Jan Halborg & Cui, Q., 2017, In: Journal of Chemical Physics. 147, 16, 8 p., 161704.

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

    11. Published

      Prediction of pKa values for druglike molecules using semiempirical quantum chemical methods

      Jensen, Jan Halborg, Swain, C. J. & Olsen, L., 2017, In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory. 121, 3, p. 699-707 9 p.

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

    12. Published

      Protein structure refinement using a quantum mechanics-based chemical shielding predictor

      Bratholm, L. A. & Jensen, Jan Halborg, 2017, In: Chemical Science. 8, 3, p. 2061-2072 12 p.

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

    13. 2016
    14. Published

      Prediction of pKa values using the PM6 semiempirical method

      Kromann, J. C., Larsen, F., Moustafa, H. & Jensen, Jan Halborg, 2016, In: PeerJ. 4, 16 p., e2335.

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

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