Kurt Valentin Mikkelsen
Professor
- 2022
- 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
- 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
- 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
- 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
- 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
- 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
- Published
Electric Properties of Photochromic Molecules Physisorbed on Silver and Copper Nanoparticles
Hillers-Bendtsen, Andreas Erbs, Kjeldal, F. Ø. & Mikkelsen, Kurt Valentin, 2022, In: Journal of Physical Chemistry A. 126, 20, p. 3145–3156 12 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Excited state dynamics and conjugation effects of the photoisomerization reactions of dihydroazulene
Hillers-Bendtsen, Andreas Erbs, Kjeldal, F. Ø., Ree, Nicolai, Matito, E. & Mikkelsen, Kurt Valentin, 2022, In: Physical Chemistry Chemical Physics. 24, 47, p. 28934-28943 10 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Geometries, molecular Rayleigh scattering, Raman and infrared frequencies of polycyclic aromatic hydrocarbons and subunits of graphite studied by DFT methods
Hasager, F., Nielsen, Ole John & Mikkelsen, Kurt Valentin, 2022, In: Environmental Science: Atmospheres. 2, 5, p. 1023-1031 9 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
High throughput screening of norbornadiene/quadricyclane derivates for molecular solar thermal energy storage
Lynge Elholm, J., Hillers-Bendtsen, Andreas Erbs, Holzel, H., Moth-Poulsen, K. & Mikkelsen, Kurt Valentin, 2022, In: Physical Chemistry Chemical Physics. 24, 47, p. 28956–28964 9 p.Research output: Contribution to journal › Journal article › Research › peer-review
ID: 7494
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2169
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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 -
277
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 -
262
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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