Kurt Valentin Mikkelsen
Professor
- Published
Sign change of hyperpolarizabilities of solvated water, revised: Effects of equilibrium and nonequilibrium solvation
Sylvester-Hvid, K. O., Mikkelsen, Kurt Valentin, Norman, P., Jonsson, D. & Ågren, H., 2004, In: Journal of Physical Chemistry A. 108, p. 8961-8965Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Interaction energies between aerosol precursors formed in the photo-oxidation of a-pinene
Sloth, M., Bilde, M. & Mikkelsen, Kurt Valentin, 2004, In: Molecular Physics. 102, p. 2361-2368Research output: Contribution to journal › Journal article › Research › peer-review
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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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Effect of molecular structure and hydration on the uptake of gas-phase sulfuric acid by charged clusters/ultrafine particles
Nadykto, A. B., Natsheh, A. A., Yu, F., Mikkelsen, Kurt Valentin & Ruuskanen, J., 2004, In: Aerosol Science and Technology. 38, p. 349-353Research output: Contribution to journal › Journal article › Research › peer-review
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The n → π electronic transition in microsolvated formaldehyde. A coupled cluster and combined coupled cluster/molecular mechanics study
Kongsted, J., Osted, A. I., Pedersen, T. B. & Mikkelsen, Kurt Valentin, 2004, In: Journal of Physical Chemistry A. 108, p. 8624-8632Research output: Contribution to journal › Journal article › Research › peer-review
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A coupled cluster study of the oriented circular dichroism of the n → π* electronic transition in cyclopropanone and natural optical active related structures
Kongsted, J., Hansen, A. E., Pedersen, T. B., Osted, A. I., Mikkelsen, Kurt Valentin & Christiansen, O., 2004, In: Chemical Physics Letters. 391, p. 259-266Research output: Contribution to journal › Journal article › Research › peer-review
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Solvent effect on the n → π* electronic transition in formaldehyde: A combined coupled cluster/molecular dynamics study
Kongsted, J., Osted, A. I., Mikkelsen, Kurt Valentin, Åstrand, P. & Christiansen, O., 2004, In: Journal of Chemical Physics. 121, p. 8435-8445Research output: Contribution to journal › Journal article › Research › peer-review
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Second harmonic generation second hyperpolarizability of water calculated using the combined coupled cluster dielectric continuum or different molecular mechanics methods
Kongsted, J., Osted, A. I. & Mikkelsen, Kurt Valentin, 2004, In: Journal of Chemical Physics. 120, p. 3787-3798Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Solvent effects on rotatory strength tensors. 1. Theory and application of the combined coupled cluster/dielectric continuum model
Kongsted, J., Pedersen, T. B., Osted, A. I., Hansen, A. E. & Mikkelsen, Kurt Valentin, 2004, In: Journal of Physical Chemistry A. 108, p. 3632-3641Research output: Contribution to journal › Journal article › Research › peer-review
- Published
The static polarizability and second hyperpolarizability of fullerenes and carbon nanotubes
Jensen, L., Åstrand, P. & Mikkelsen, Kurt Valentin, 2004, In: Journal of Physical Chemistry A. 108, p. 8795-8800Research output: Contribution to journal › Journal article › Research › peer-review
ID: 7494
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2171
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Direct probing of ion pair formation using a symmetric triangulenium dye
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287
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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
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Published