Kurt Valentin Mikkelsen
Professor
- 2011
- Published
A Theoretical Approach to Molecular Single Electron Transistors
Olsen, S. T., Hansen, Thorsten & Mikkelsen, Kurt Valentin, 2011, In: Theoretical Chemistry Accounts. 130, p. 839-850Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Ab initio studies of O-2(-) (H2O)(n) and O-3(-) (H2O)(n) anionic molecular clusters, n <= 12
Bork, N., Kurtén, T., Enghoff, M. B., Pedersen, J. O. P., Mikkelsen, Kurt Valentin & Svensmark, H., 2011, In: Atmospheric Chemistry and Physics. 11, p. 7133-7142Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Computational Protocols for Prediction of Solute NMR Relative Chemical Shifts. A Case Study of L-Tryptophan in Aqueous Solution
Eriksen, J. J., Olsen, J. M. H., Aidas, K., Ågren, H., Mikkelsen, Kurt Valentin & Kongsted, J., 2011, In: Journal of Computational Chemistry. 32, p. 2853-2864Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Determining molecule-particle reaction parameters
Madsen, M. S., Gross, A. & Mikkelsen, Kurt Valentin, 2011, In: International Journal of Quantum Chemistry. 111, p. 1740-1747Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Direct probing of ion pair formation using a symmetric triangulenium dye
Westerlund, A. R. F., Elm, J., Jørgensen, J. L., Carlsson, N., Thyrhaug, E., Åkerman, B., Sørensen, Thomas Just, Mikkelsen, Kurt Valentin & Laursen, Bo Wegge, 2011, In: Photochemical & Photobiological Sciences. 10, p. 1963-1973Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Hybrid density functional theory/molecular mechanics calculations of two-photon absorption of dimethylamino nitro stilbene in solution
Murugan, N. A., Kongsted, J., Rinkevicius, Z., Aidas, K., Mikkelsen, Kurt Valentin & Ågren, H., 2011, In: Physical Chemistry Chemical Physics. 13, p. 12506-12516Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Racemization Mechanisms and Electronic Circular Dichroism of [4]Heterohelicenium Dyes: A Theoretical Study
Elm, J., Jørgensen, J. L., Sørensen, Thomas Just, Laursen, Bo Wegge & Mikkelsen, Kurt Valentin, 2011, In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory. 115, 43, p. 12025-12033Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Structures and reaction rates of the gaseous oxidation of SO2 by an O3-(H2O)0–5 cluster – a density functional theory investigation
Bork, N., Kurtén, T., Enghoff, M. B., Pedersen, J. O. P., Mikkelsen, Kurt Valentin & Svensmark, H., 2011, In: Atmospheric Chemistry and Physics. 11, p. 29647-29679Research output: Contribution to journal › Journal article › Research › peer-review
- Published
The iterative self-consistent reaction-field method: The refractive index of pure water
Sylvester-Hvid, K. O., Mikkelsen, Kurt Valentin & Ratner, M. A., 2011, In: International Journal of Quantum Chemistry. 111, 4, p. 904-913Research output: Contribution to journal › Journal article › Research › peer-review
ID: 7494
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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