Kurt Valentin Mikkelsen
Professor
- 1990
- Published
A Theoretical Study of Solvent Effects on Radiative Deactivation of Singlet Molecular Oxygen (1Δg O2)
Mikkelsen, Kurt Valentin & Ågren, H., 1990, In: Journal of Physical Chemistry. 94, p. 6220-27Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Direct and Superexchange Electron Tunneling at the Adjacent and Remote Sites of Higher Plant Plastocyanins
Christensen, H. E., Conrad, L. S., Mikkelsen, Kurt Valentin, Nielsen, M. K. & Ulstrup, J., 1990, In: Inorganic Chemistry. 29, p. 2808-16Research output: Contribution to journal › Journal article › Research › peer-review
- 1991
- Published
A Dynamic Description of the Effects of Solvent Motion in Electron Transfer Reactions
Mikkelsen, Kurt Valentin, 1991, In: Zeitschrift fur Physikalische Chemie. 170, p. 129-42Research output: Contribution to journal › Journal article › Research › peer-review
- Published
A New and Rigorous Method for Calculating Intramolecular Reorganization Energies for Electron-Transfer Reactions: Applied for Self-Exchange Reactions Involving Alkyl and Benzyl Radicals
Mikkelsen, Kurt Valentin, Pedersen, S. U., Lund, H. & Swanstrøm, P., 1991, In: Journal of Physical Chemistry. 95, p. 8892-99Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Electron and Atom Group Transfer Properties of Protein Systems
Christensen, E. M., Conrad, L. S., Ulstrup, J. & Mikkelsen, Kurt Valentin, 1991, In: Metal Ions in Biological System. 27, p. 57-96Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Molecular Dynamics Simulation of the Solvation of Benzene Anion with Different Charge Distributions. Application to Self-Exchange Electron-Transfer Reactions
Linse, P. & Mikkelsen, Kurt Valentin, 1991, In: Journal of Physical Chemistry. 95, p. 4843-48Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Self-trapping, bridge assistance, superexchange and intramolecular electron transfer: Some observations
Todd, M. D., Mikkelsen, Kurt Valentin, Hupp, J. T. & Ratner, M. A., 1991, In: New Journal of Chemistry. 15, p. 97-105Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Theory of solvent effects on electronic spectra
Ågren, H. & Mikkelsen, Kurt Valentin, 1991, In: Journal of Molecular Structure: THEOCHEM. 234, p. 425-67Research output: Contribution to journal › Journal article › Research › peer-review
- 1992
- Published
Effects of Tyr-83 Nitromodification and Phe-82 Phenyl Group Rotation on Electronic Transmission Coefficients at the Remote Electron-Transfer Site of Higher Plant Plastocyanins
Christensen, H. E. M., Conrad, L. S., Mikkelsen, Kurt Valentin & Ulstrup, J., 1992, In: Journal of Physical Chemistry. 96, p. 4451-54Research output: Contribution to journal › Journal article › Research › peer-review
- 1993
- Published
Electron self-exchange in azurin: calculation of the superexchange electron tunneling rate
Mikkelsen, Kurt Valentin, Skov, L. K., Nar, H. & Farver, O., 15 Jun 1993, In: Proceedings of the National Academy of Sciences of the United States of America. 90, 12, p. 5443-5 3 p.Research output: Contribution to journal › Journal article › Research › peer-review
- 1994
- Published
Dynamical Model for SN2 Reactions in Solution. The Cl- + CH3Cl →ClCH3 + Cl- Reaction
Billing, G. D. & Mikkelsen, Kurt Valentin, 1994, In: Chemical Physics. 182, p. 249-62Research output: Contribution to journal › Journal article › Research › peer-review
- 1996
- Published
Calculation of Nuclear Shielding Constants and Magnetizabilities of the Hydrogen Fluoride Molecule
Åstrand, P. & Mikkelsen, Kurt Valentin, 1996, In: J. Chem. Phys.. 104, p. 648-53Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Calculations of Intramolecular Reorganization Energies for Electron-Transfer Reactions Involving Organic Systems
Jacobsen, S., Mikkelsen, Kurt Valentin & Pedersen, S. U., 1996, In: J. Phys. Chem.. 100, p. 7411-17Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Full CI Calculations of the Magnetizability and Rotational g Factor of the Hydrogen Molecule
Ruud, K., Åstrand, P., Helgaker, T. & Mikkelsen, Kurt Valentin, 1996, In: THEOCHEM. 338, p. 231-235Research output: Contribution to journal › Journal article › Research › peer-review
- Published
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
- Published
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
- Published
Molecular Response Method for Solvated Molecules in Nonequlibrium Solvation
Mikkelsen, Kurt Valentin & Sylvester-Hvid, K. O., 1996, In: J. Phys. Chem.. 100, p. 9116-26Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Theory of Hyperfine Coupling Constants of Solvated Molecules. Applications involving methyl and ClO2 radicals in different solvents
Fernandez, B., Christensen, O., Bludsky, O., Jørgensen, P. & Mikkelsen, Kurt Valentin, 1996, In: J. Chem. Phys.. 104, p. 629-35Research output: Contribution to journal › Journal article › Research › peer-review
- 1997
- Published
A Multipole Multiconfigurational Self-Consistent Reaction Field Method for Calculating Magnetic Properties of Solvated Molecules
Mikkelsen, Kurt Valentin, Jørgensen, P., Ruud, K. & Helgaker, T., 1997, In: J. Chem. Phys.. 106, p. 1070-Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Advanced Molecular Dynamics and Chemical Kinetics
Billing, G. D. & Mikkelsen, Kurt Valentin, 1997, England: Wiley.Research output: Book/Report › Book › Research
- Published
Collision induced electronic transitions in complexes between benzone and molecular oxugen
Minaer, B. F., Mikkelsen, Kurt Valentin & Ågren, H., 1997, In: Chemical Physics. 220, p. 79-Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Electric and magnetic properties of the nitroethene molecule
Åstrand, P., Ruud, K., Mikkelsen, Kurt Valentin & Helgaker, T., 1997, In: Mol. Phys.. 92, p. 89-96Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Investigation of temperature dependence of dielectric relaxation in liquid water by THz reflection spectroscopy and molecular dynamics simulation
Rønne, C., Thrane, L., Åstrand, P., Wallquist, A., Mikkelsen, Kurt Valentin & Keiding, S. R., 1997, In: J. Chem. Phys.. 107, p. 5319-5331Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Nuclear shielding in liquid water from molecular dynamic simulations
Nymand, T., Åstrand, P. & Mikkelsen, Kurt Valentin, 1997, In: Chemical Physics. 101, p. 4105-Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Pictorial Representations of Molecular Response Tensors: Nuclear Schielding, Magnetizability, and Polarizability
Hansen, A. E., Mikkelsen, Kurt Valentin & Bak, K. L., 1997, In: Magnetic Resonance Review. 17, p. 133-162Research 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
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277
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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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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