Kurt Valentin Mikkelsen

Kurt Valentin Mikkelsen

Professor


  1. 2008
  2. Published

    Computational quantum chemistry: A new approach to atmospheric nucleation

    Nadykto, A. B., Al Natsheh, A., Yu, F., Mikkelsen, Kurt Valentin & Herb, J., 2008, In: Advances in Quantum Chemistry. 55, p. 449-478

    Research output: Contribution to journalJournal articleResearchpeer-review

  3. Published

    Determination of rate constants for the uptake process involving SO2 and an aerosol particle. A quantum mechanics/molecular mechanics and quantum statistical investigation

    Madsen, M. S., Gross, A., Falsig, H., Kongsted, J., Osted, A., Mikkelsen, Kurt Valentin & Christiansen, O., 2008, In: Chemical Physics. 348, p. 21-30

    Research output: Contribution to journalJournal articleResearchpeer-review

  4. Published

    From Molecules to Droplets

    Gross, A., Nielsen, Ole John & Mikkelsen, Kurt Valentin, 2008, In: Advances in Quantum Chemistry. 55, p. 355-385 31 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  5. Published

    From molecules to droplets

    Gross, A., Nielsen, Ole John, Mikkelsen, Kurt Valentin, Sabin, J. & Brandas, E., 2008, In: Advances in Quantum Chemistry, Vol 55: Applications of Theoretical Methods To Atmospheric Science.

    Research output: Contribution to journalJournal articleResearchpeer-review

  6. Published

    Linear Response Theory in Connection to Density Functional Theory/Molecular Dynamics and Coupled Cluster/Molecular Dynamics Methods

    Aidas, K., Kongsted, J. & Mikkelsen, Kurt Valentin, 2008, Challenges and Advances in Computational Chemistry and Physics. Springer, Vol. 6. p. 349-380

    Research output: Chapter in Book/Report/Conference proceedingBook chapterResearch

  7. Published

    NMR and PAC Properties of Heavy Metal Ions in Proteins: A Theoretical Study

    Rud-Petersen, K., Mikkelsen, Kurt Valentin, Sauer, Stephan P. A. & Hemmingsen, Lars Bo Stegeager, 2008, EUROBIC9: 9th European Biological Inorganic Chemistry Conference. Cebrat, M., Kulon, K. & Luczkowski, M. (eds.). p. 290 1 p.

    Research output: Chapter in Book/Report/Conference proceedingConference abstract in proceedingsResearch

  8. Published

    On the Accuracy of Density Functional Theory to Predict Shifts in Nuclear Magnetic Resonance Shielding Constants due to Hydrogen Bonding

    Kongsted, J., Aidas, K., Mikkelsen, Kurt Valentin & Sauer, Stephan P. A., 2008, In: Journal of Chemical Theory and Computation. 4, 2, p. 267-277

    Research output: Contribution to journalJournal articleResearchpeer-review

  9. Published

    On the performance of quantum chemical methods to predict solvatochromic effects. The case of acrolein in aqueous solution

    Aidas, K., Møgelhøj, A., Nilsson, E. J. K., Johnson, Matthew Stanley, Mikkelsen, Kurt Valentin, Christiansen, O., Söderhjelm, P. & Kongsted, J., 2008, In: Journal of Chemical Physics. 128, p. 194503-1 to 194503-15 15 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

  10. Published

    Solvent effects on the nitrogen NMR shielding and nuclear quadrupole coupling constants in 1-methyltriazoles

    Møgelhøj, A., Aidas, K., Mikkelsen, Kurt Valentin & Kongsted, J., 2008, In: Chemical Physics Letters. 460, p. 129-136

    Research output: Contribution to journalJournal articleResearchpeer-review

ID: 7494