Kurt Valentin Mikkelsen

Kurt Valentin Mikkelsen

Professor

Member of:


    1. 2004
    2. Published

      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. 259-266

      Research output: Contribution to journalJournal articlepeer-review

    3. Published

      A theoretical study of the reaction between CH3S(OH)CH3 and O2

      Gross, A., Barnes, I., Sørensen, R. M., Kongsted, J. & Mikkelsen, Kurt Valentin, 2004, In: Journal of Physical Chemistry A. 108, p. 8659-8671

      Research output: Contribution to journalJournal articlepeer-review

    4. Published

      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. 349-353

      Research output: Contribution to journalJournal articlepeer-review

    5. 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. 2361-2368

      Research output: Contribution to journalJournal articlepeer-review

    6. 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. 8646-8658

      Research output: Contribution to journalJournal articlepeer-review

    7. 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. 8226-8233

      Research output: Contribution to journalJournal articlepeer-review

    8. Published

      Molecular properties of molecules between electrodes

      Hansen, Thorsten & Mikkelsen, Kurt Valentin, 2004, In: Theoretical Chemistry Accounts. 111 (2-6), p. 122-131

      Research output: Contribution to journalJournal articlepeer-review

    9. Published

      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. 3787-3798

      Research output: Contribution to journalJournal articlepeer-review

    10. 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. 8961-8965

      Research output: Contribution to journalJournal articlepeer-review

    11. Published

      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. 8435-8445

      Research output: Contribution to journalJournal articlepeer-review

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