Kurt Valentin Mikkelsen
Professor
- Published
Linear response properties of liquid water calculated using CC2 and CCSD within different molecular mechanics methods
Osted, A. I., Kongsted, J., Mikkelsen, Kurt Valentin & Christiansen, O., 2004, In: Journal of Physical Chemistry A. 108, p. 8646-8658Research output: Contribution to journal › Journal article › Research › peer-review
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Luminescence Spectroscopy of Rhodamine Homodimer Dications in Vacuo Reveals Strong Dye-Dye Interactions
Kjaer, C., Lissau, H., Gravesen Salinas, N. K., Østergaard Madsen, A., Stockett, M. H., Storm, F. E., Holm Hansen, T., Andersen, J. U., Laursen, Bo Wegge, Mikkelsen, Kurt Valentin, Nielsen, Mogens Brøndsted & Brøndsted Nielsen, S., 2019, In: ChemPhysChem. 20, 4, p. 533-537 5 p.Research output: Contribution to journal › Journal article › Research › peer-review
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MP2 correlation effects upon the electronic and vibrational properties of polyyne
Poulsen, T. D., Mikkelsen, Kurt Valentin, Fripiat, J. G., Jacquemin, D. & Champagne, B., 2001, In: Journal of Chemical Physics. 114, p. 5917-5922Research output: Contribution to journal › Journal article › Research › peer-review
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Machine learning the frontier orbital energies of SubPc based triads
Storm, F. E., Folkmann, L. M., Hansen, Thorsten & Mikkelsen, Kurt Valentin, 2022, In: Journal of Molecular Modeling. 28, 10, 13 p., 313.Research output: Contribution to journal › Journal article › Research › peer-review
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Magnetizabilities and Nuclear Shielding Constants for the Flouromethanes in Gas Phase and Solution
Åstrand, P., Mikkelsen, Kurt Valentin, Ruud, K. & Helgaker, T., 1996, In: J. Phys. Chem.. 100, p. 19771-19782Research output: Contribution to journal › Journal article › Research › peer-review
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Magnetizability and Nuclear Shielding Constants of Solvated Water
Mikkelsen, Kurt Valentin, Ruud, K. & Helgaker, T., 1996, In: Chemical Physics Letters. 253, p. 443-447Research output: Contribution to journal › Journal article › Research › peer-review
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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
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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. 3944-3949Research output: Contribution to journal › Letter › Research › peer-review
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Microscopic Polarization in Ropes and Films of Aligned Carbon Nanotubes
Jensen, L., Esbensen, A. L., Åstrand, P. & Mikkelsen, Kurt Valentin, 2006, In: Journal of Computational Methods in Sciences and Engineering. 6, p. 353-364Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Microscopic and macroscopic polarization in C60 fullerene clusters as calculated by an electrostatic interaction model
Jensen, L., Åstrand, P. & Mikkelsen, Kurt Valentin, 2004, In: Journal of Physical Chemistry B. 108, p. 8226-8233Research 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
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289
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Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems
Research output: Contribution to journal › Journal article › Research › peer-review
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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