Kurt Valentin Mikkelsen

Kurt Valentin Mikkelsen

Professor

Member of:


    1. 2020
    2. Published

      Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems

      Olsen, J. M. H., Reine, S., Vahtras, O., Kjellgren, E., Reinholdt, P., Dundas, K. O. H., Li, X., Cukras, J., Ringholm, M., Hedegård, E. D., Di Remigio, R., List, N. H., Faber, R., Tenorio, B. N. C., Bast, R., Pedersen, T. B., Rinkevicius, Z., Sauer, S. P. A., Mikkelsen, K. V., Kongsted, J. & 5 others, Coriani, S., Ruud, K., Helgaker, T., Jensen, H. J. A. & Norman, P., 5 Jun 2020, In: Journal of Chemical Physics. 152, 18 p., 214115.

      Research output: Contribution to journalJournal articleResearchpeer-review

    3. Published

      The unexpected effect of aqueous ion pairs on the forbidden n → π∗ transition in nitrate

      Pedersen, P. D., Mikkelsen, Kurt Valentin & Johnson, Matthew Stanley, 28 May 2020, In: Physical Chemistry Chemical Physics. 22, 20, p. 11678-11685 8 p.

      Research output: Contribution to journalJournal articleResearchpeer-review

    4. 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 journalJournal articleResearchpeer-review

    5. 2019
    6. Published

      Theoretical Investigation on the Control of Macrocyclic Dihydroazulene/Azobenzene Photoswitches

      Abedi, M., Papai, M., Henriksen, N. E., Moller, K. B., Nielsen, Mogens Brøndsted & Mikkelsen, Kurt Valentin, 24 Oct 2019, In: Journal of Physical Chemistry C. 123, 42, p. 25579-25584

      Research output: Contribution to journalJournal articleResearchpeer-review

    7. Published

      Synthesis of radiaannulene oligomers to model the elusive carbon allotrope 6,6,12-graphyne

      Kilde, M. D., Murray, A. H., Andersen, C. L., Storm, F. E., Schmidt, K., Kadziola, Anders, Mikkelsen, Kurt Valentin, Hampel, F., Hammerich, Ole, Tykwinski, R. R. & Nielsen, Mogens Brøndsted, 16 Aug 2019, In: Nature Communications. 10, 9 p., 3714.

      Research output: Contribution to journalJournal articleResearchpeer-review

    8. Published

      Mechanism of Photoinduced Dihydroazulene Ring-Opening Reaction

      Abedi, M., Papai, M., Mikkelsen, Kurt Valentin, Henriksen, N. E. & Moller, K. B., 18 Jul 2019, In: Journal of Physical Chemistry Letters. 10, 14, p. 3944-3949

      Research output: Contribution to journalLetterResearchpeer-review

    9. Published

      Electronic Predissociation in the Dichloromethane Cation CH2Cl2+ Electronic State (2)A(1)

      Petersen, A. C., Koerstz, M., Mikkelsen, Kurt Valentin & Sølling, Theis Ivan, 9 May 2019, In: Journal of Physical Chemistry A. 123, 18, p. 4048-4056

      Research output: Contribution to journalJournal articleResearchpeer-review

    10. Published

      The influence of nanoparticles on the excitation energies of the photochromic dihydroazulene/vinylheptafulvene system

      Hillers-Bendtsen, Andreas Erbs, Hansen, M. H. & Mikkelsen, Kurt Valentin, 28 Mar 2019, In: Physical Chemistry Chemical Physics. 21, 12, p. 6689-6698

      Research output: Contribution to journalJournal articleResearchpeer-review

    11. Published

      Benchmarking sampling methodology for calculations of Rayleigh light scattering properties of atmospheric molecular clusters

      Joranger, T., Kildgaard, J. V., Jørgensen, Solvejg, Elm, J. & Mikkelsen, Kurt Valentin, 2019, In: Physical Chemistry Chemical Physics. 21, 31, p. 17274-17287

      Research output: Contribution to journalJournal articleResearchpeer-review

    12. Published

      Computational construction of the electronic Hamiltonian for photoinduced electron transfer and Redfield propagation

      Storm, F. E., Rasmussen, Maria Harris, Mikkelsen, Kurt Valentin & Hansen, Thorsten, 2019, In: Physical Chemistry Chemical Physics. 21, 31, p. 17366-17377

      Research output: Contribution to journalJournal articleResearchpeer-review

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