Kurt Valentin Mikkelsen

Kurt Valentin Mikkelsen

Professor

Member of:

    ORCID: 0000-0003-4090-7697

    Publication year:
    All
    1 - 25 out of 302Page size: 25
    1. 2024
    2. Published

      A Combined Quantum Mechanics and Molecular Mechanics Approach for Simulating the Optical Properties of DNA-Stabilized Silver Nanoclusters

      Liasi, Zacharias, Jensen, L. & Mikkelsen, Kurt Valentin, 2024, In: Journal of Chemical Theory and Computation. 20, 2, p. 937-945 9 p.

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

    3. Published

      Cluster perturbation theory IX: Perturbation series for the coupled cluster singles and doubles ground state energy

      Hillers-Bendtsen, Andreas Erbs, Jensen, F., Mikkelsen, Kurt Valentin, Olsen, J. & Jørgensen, P., 2024, In: Journal of Chemical Physics. 160, 10, 26 p., 104108.

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

    4. Published

      Extended Tetrathiafulvalenes with Fluoreno[3,2-b]fluorene and Diindeno[1,2-b : 1′,2′-i]anthracene Cores

      Granhøj, J., Zalibera, M., Malček, M., Pedersen, Viktor Bliksted Roug, Hillers-Bendtsen, Andreas Erbs, Mikkelsen, Kurt Valentin, Rapta, P. & Nielsen, Mogens Brøndsted, 2024, In: Chemistry - A European Journal. 30, 5, 12 p., e202302688.

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

    5. Published

      Investigation of Solvent Effects on the Molecular Energy Storage and Optical Properties of Bicyclooctadiene/Tetracyclooctane Photoswitches

      Hillers-Bendtsen, Andreas Erbs, Zhou, Y. & Mikkelsen, Kurt Valentin, 2024, In: Journal of Physical Chemistry A. 128, p. 41-50 10 p.

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

    6. Accepted/In press

      Structure–Property Relationships with Functionalized Subphthalocyanines: Toward Photovoltaic Devices More Stable to Photooxidative Degradation Mediated by Singlet Oxygen

      Aryal, U. K., Atajanov, R., Broløs, L., El-Sayed, A. A., Henke, P., Jespersen, M. F., Langhorn, L. M., Madsen, M., Martos, D. G., Mikkelsen, Kurt Valentin, Mogensen, J., Nielsen, Mogens Brøndsted, Ogilby, P. R., Rasmussen, M. G., Rindom, Cecilie & Turkovic, V., 2024, (Accepted/In press) In: Advanced Functional Materials.

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

    7. Published

      Tensor Hypercontraction of Cluster Perturbation Theory: Quartic Scaling Perturbation Series for the Coupled Cluster Singles and Doubles Ground-State Energies

      Hillers-Bendtsen, Andreas Erbs, Mikkelsen, Kurt Valentin & Martinez, T. J., 2024, In: Journal of Chemical Theory and Computation. 20, 5, p. 1932-1943 12 p.

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

    8. 2023
    9. Published

      Theoretical Investigations of Dye-Sensitized Solar Cells

      Chen, Jing, Vishart, A. L., Sauer, Stephan P. A. & Mikkelsen, Kurt Valentin, 8 Aug 2023, In: Journal of Nanotechnology and Nanomaterials. 4, 2, p. 38-54 17 p.

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

    10. Published

      Indirect nuclear spin-spin couplings with third order contributions added to the SOPPA method

      Sanz Rodrigo, J., Hillers-Bendtsen, Andreas Erbs, Kjeldal, F. Ø., Høyer, N. M., Mikkelsen, Kurt Valentin & Sauer, Stephan P. A., 28 Mar 2023, In: The Journal of Chemical Physics. 158, 12, 10 p., 124118.

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

    11. Published

      A Benchmark Study of Aromaticity Indexes for Benzene, Pyridine, and the Diazines-II. Excited State Aromaticity

      Pedersen, J. & Mikkelsen, Kurt Valentin, 2023, In: Journal of Physical Chemistry A. 127, 1, p. 122–130 9 p.

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

    12. Published

      Calculation of electric field gradients in Cd(II) model complexes of the CueR protein metal site

      O'Shea, C. A., Fromsejer, R., Sauer, Stephan P. A., Mikkelsen, Kurt Valentin & Hemmingsen, Lars Bo Stegeager, 2023, In: Physical Chemistry Chemical Physics. 25, p. 12277-12283 7 p.

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

    13. Published

      Computational investigation of photoswitch conjugates for molecular solar energy storage

      Elholm, J. L., Liasi, Zacharias, Mikkelsen, Marie Kathrine, Hillers-Bendtsen, Andreas Erbs & Mikkelsen, Kurt Valentin, 2023, In: Physical Chemistry Chemical Physics. 25, 33, p. 21964-21969 6 p.

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

    14. Published

      Coupled cluster theory on modern heterogeneous supercomputers

      Corzo, H. H., Hillers-Bendtsen, Andreas Erbs, Barnes, A., Zamani, A. Y., Pawłowski, F., Olsen, J., Jørgensen, P., Mikkelsen, Kurt Valentin & Bykov, D., 2023, In: Frontiers in Chemistry. 11, 24 p., 1154526.

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

    15. Published

      Density Functional Theory Investigation on Boron-Subphthalocyanine

      Storm, F. E., Hansen, Thorsten & Mikkelsen, Kurt Valentin, 2023, In: Journal of Nanosciences Research & Reports. 5, 3, p. 1-10 10 p.

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

    16. Published

      Device engineering of organic solar cells based on a boron subphthalocyanine electron donor molecule

      Ahmadpour, M., Prete, M., Aryal, U. K., Petersen, A. U., Ahmad, M., Rubahn, H. G., Jespersen, M. F., Mikkelsen, Kurt Valentin, Turkovic, V., Nielsen, Mogens Brøndsted & Madsen, M., 2023, In: JPhys Materials. 6, 1, 8 p., 014008.

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

    17. Published

      Elucidating the Mystery of DNA-Templating Effects on a Silver Nanocluster

      Liasi, Zacharias, Hillers-Bendtsen, Andreas Erbs, Jensen, L. & Mikkelsen, Kurt Valentin, 2023, In: The Journal of Physical Chemistry Letters. 14, 25, p. 5727-5733 7 p.

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

    18. Published

      Environmental effects on the norbornadiene-quadricyclane photoswitch for molecular solar thermal energy storage

      Danø, C. & Mikkelsen, Kurt Valentin, 2023, In: International Journal of Physics Research and Applications. 6, p. 203-215 13 p.

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

    19. Published

      Exploring the impact of select anchor groups for norbornadiene/quadricyclane single-molecule switches

      Ghasemi, S., Ornago, L., Liasi, Zacharias, Johansen, Magnus Bukhave, Von Buchwald, T. J., Hillers-Bendtsen, Andreas Erbs, Van Der Poel, S., Hölzel, H., Wang, Z., Amombo Noa, F. M., Öhrström, L., Mikkelsen, Kurt Valentin, Van Der Zant, H. S. J., Lara-avila, S. & Moth-poulsen, K., 2023, In: Journal of Materials Chemistry C. 11, 44, p. 15412-15418 7 p.

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

    20. Published

      Graphyne: Optical Excitations and Charge Distributions

      Madsen, A. Ø., Mikkelsen, S. V. K. & Mikkelsen, Kurt Valentin, 2023, In: J. Comp. Chem. Mol. Mod. . 6, 1, p. 663-676 12 p.

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

    21. Published

      Heterocyclic [9]Helicenes Exhibiting Bright Circularly Polarized Luminescence

      Warthegau, Stefan Smedegaard, Hillers-Bendtsen, Andreas Erbs, Pedersen, S. K., Rindom, Cecilie, Bræstrup, C., Jensen, J. S., Hammerich, Ole, Thomsen, Maria Storm, Kamounah, Fadhil S, Norman, P., Mikkelsen, Kurt Valentin, Brock-Nannestad, Theis & Pittelkow, Michael, 2023, In: Chemistry - A European Journal. 29, 58, 6 p., e202301815.

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

    22. Published

      Imparting Stability to Organic Photovoltaic Components through Molecular Engineering: Mitigating Reactions with Singlet Oxygen

      Henke, P., Rindom, Cecilie, Kanta Aryal, U., Frydenlund Jespersen, M., Broløs, L., Mansø, M., Turkovic, V., Madsen, M., Mikkelsen, Kurt Valentin, Ogilby, P. R. & Nielsen, Mogens Brøndsted, 2023, In: ChemSusChem.

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

    23. Published

      Investigation of Coulomb blockade diamonds of 7-helicenes interacting with gold nanoparticles

      Jensen, M. D., Hansen, C. T., Hillers-Bendtsen, Andreas Erbs & Mikkelsen, Kurt Valentin, 2023, In: Chemical Physics Letters. 830, 5 p., 140761.

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

    24. Published

      Massively parallel GPU enabled third-order cluster perturbation excitation energies for cost-effective large scale excitation energy calculations

      Hillers-Bendtsen, Andreas Erbs, Bykov, D., Barnes, A., Liakh, D., Corzo, H. H., Olsen, J., Jørgensen, P. & Mikkelsen, Kurt Valentin, 2023, In: Journal of Chemical Physics. 158, 14, 144111.

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

    25. Published

      Searching the Chemical Space of Bicyclic Dienes for Molecular Solar Thermal Energy Storage Candidates

      Hillers-Bendtsen, Andreas Erbs, Elholm, J. L., Obel, O. B., Hölzel, H., Moth-Poulsen, K. & Mikkelsen, Kurt Valentin, 2023, In: Angewandte Chemie - International Edition. 62, 40, 8 p., e202309543.

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

    26. Published

      Solvent-Induced Symmetry Breaking of the Photoinduced Charge Transfer Dynamics in the Bridged Perylene Dimer

      Ekstrøm, E. T., Pedersen, J. & Mikkelsen, Kurt Valentin, 2023, In: The journal of physical chemistry. A. 127, 45, p. 9601-9611 11 p.

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

    27. Published

      The Effects of Solvent Dynamics on the Back Reaction of Solar-Thermal Energy Storage Systems

      Kjeldsen, Ida Lützen Hoff, Høvring, J. F., Hillers-Bendtsen, Andreas Erbs & Mikkelsen, Kurt Valentin, 2023, In: Journal of Physical Chemistry A. 127, 34, p. 7058-7069 12 p.

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

    Previous 1 2 3 4 5 6 7 8 ...13 Next

    ID: 7494