Kurt Valentin Mikkelsen
Professor
- 2023
- 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
- 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
- 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
- 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
- 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
- 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
- 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
- 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
- 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
- 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
- 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
- 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
- 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
- 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
- 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
- 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
- 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
- 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
- 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
- Published
The Switching Mechanisms of Dihydroazulene /Vinylheptafulvene Photo-/Thermoswitches
Gertsen , A. S. & Mikkelsen, Kurt Valentin, 2023, In: Japan Journal of Research. 4, 6, 10 p.Research output: Contribution to journal › Review › Research › peer-review
- Published
The influence of silver and copper nanoparticles on the optical properties of photochromic molecules
Kjeldal, F. Ø., Hillers-Bendtsen, Andreas Erbs & Mikkelsen, Kurt Valentin, 2023, In: Nanosci Nanotechnol . 2, 16 p., 1018 .Research output: Contribution to journal › Journal article › Research › peer-review
ID: 7494
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2175
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Direct probing of ion pair formation using a symmetric triangulenium dye
Research output: Contribution to journal › Journal article › Research › peer-review
Published -
289
downloads
Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems
Research output: Contribution to journal › Journal article › Research › peer-review
Published -
263
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Single-molecule detection of dihydroazulene photo-thermal reaction using break junction technique
Research output: Contribution to journal › Journal article › Research › peer-review
Published