Kurt Valentin Mikkelsen

Kurt Valentin Mikkelsen

Professor

Member of:

    ORCID: 0000-0003-4090-7697

    Publication year:
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    1 - 10 out of 25Page size: 10
    1. 2022
    2. Published

      Calculation of electric field gradients for CdI2 in the gas phase using BOMD simulations

      Fromsejer, R., Haas, H., Mikkelsen, Kurt Valentin & Hemmingsen, Lars Bo Stegeager, 16 Aug 2022, In: Chemical Physics Letters. 801, 4 p., 139704.

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

    3. Published

      Quantum computing for chemical and biomolecular product design

      Andersson, M. P., Jones, M. N., Mikkelsen, Kurt Valentin, You, F. & Mansouri, S. S., Jun 2022, In: Current Opinion in Chemical Engineering. 36, 10 p., 100754.

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

    4. Published

      Prospects of Improving Molecular Solar Energy Storage of the Norbornadiene/Quadricyclane System through Bridgehead Modifications

      Hillers-Bendtsen, Andreas Erbs, Dünweber, Phillip Gustav Iuel Lunøe, Olsen, L. H. & Mikkelsen, Kurt Valentin, 5 May 2022, In: Journal of Physical Chemistry A. 126, 17, p. 2670-2676 7 p.

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

    5. Published

      Hybrid DFT small-cluster model of CO oxidation on CeO2/(110)

      Bjerregaard, J. D., Mikkelsen, Kurt Valentin & Johnson, Matthew Stanley, 16 Apr 2022, In: Chemical Physics Letters. 793, 6 p., 139436.

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

    6. 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

    7. Published

      A benchmark study of aromaticity indexes for benzene, pyridine and the diazines – I. Ground state aromaticity

      Pedersen, J. & Mikkelsen, Kurt Valentin, 2022, In: RSC Advances. 12, 5, p. 2830-2842 13 p.

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

    8. Published

      Cluster perturbation theory. VI. Ground-state energy series using the Lagrangian

      Høyer, N. M., Kjeldal, F. Ø., Hillers-Bendtsen, Andreas Erbs, Mikkelsen, Kurt Valentin, Olsen, J. & Jørgensen, P., 2022, In: Journal of Chemical Physics. 157, 2, 29 p., 024106.

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

    9. Published

      Cluster perturbation theory. VII. The convergence of cluster perturbation expansions

      Olsen, J., Hillers-Bendtsen, Andreas Erbs, Kjeldal, F. Ø., Høyer, N. M., Mikkelsen, Kurt Valentin & Jørgensen, P., 2022, In: Journal of Chemical Physics. 157, 2, 28 p., 024107.

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

    10. Published

      Cluster perturbation theory. VIII. First order properties for a coupled cluster state

      Hillers-Bendtsen, Andreas Erbs, Høyer, N. M., Kjeldal, F. Ø., Mikkelsen, Kurt Valentin, Olsen, J. & Jørgensen, P., 2022, In: Journal of Chemical Physics. 157, 2, 33 p., 024108.

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

    11. Published

      Density Functional Theory Study of Carbamoyl-Substituted Dihydroazulene/Vinylheptafulvene Derivatives and Solvent Effects

      Christensen, Oliver, Nielsen, L. E., Johansen, J., Holk, K., Udmark, J., Nielsen, Mogens Brøndsted, Cacciarini, Martina & Mikkelsen, Kurt Valentin, 2022, In: Journal of Physical Chemistry C. 126, 10, p. 4815-4825 11 p.

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

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    ID: 7494