Kurt Valentin Mikkelsen

Kurt Valentin Mikkelsen

Professor

Member of:

    ORCID: 0000-0003-4090-7697

    Publication year:
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    176 - 200 out of 304Page size: 25
    1. 2009
    2. Published

      Prediction of Spin-Spin Coupling Constants in Solution based on Combined Density Functional Theory/Molecular Mechanics

      Møgelhøj, A., Aidas, K., Mikkelsen, Kurt Valentin, Sauer, Stephan P. A. & Kongsted, J., 2009, In: Journal of Chemical Physics. 130, 13, p. 134508 12 p.

      Research output: Contribution to journal › Journal article › Research › peer-review

    3. 2008
    4. 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 journal › Journal article › Research › peer-review

    5. 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 journal › Journal article › Research › peer-review

    6. 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 journal › Journal article › Research › peer-review

    7. 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 journal › Journal article › Research › peer-review

    8. 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 proceeding › Book chapter › Research

    9. 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 proceeding › Conference abstract in proceedings › Research

    10. 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 journal › Journal article › Research › peer-review

    11. 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 journal › Journal article › Research › peer-review

    12. 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 journal › Journal article › Research › peer-review

    13. 2007
    14. Published

      Density functional self-consistent quantum mechanics/molecular mechanics theory for linear and nonlinear molecular properties: Applications to solvated water and formaldehyde

      Nielsen, C. B., Christiansen, O., Mikkelsen, Kurt Valentin & Kongsted, J., 2007, In: Journal of Chemical Physics. 126, 15, p. 154112

      Research output: Contribution to journal › Journal article › Research › peer-review

    15. Published

      Gauge-origin independent magnetizabilities from hybrid quantum mechanics/molecular mechanics models: Theory and applications to liquid water

      Aidas, K., Kongsted, J., Nielsen, C. B., Mikkelsen, Kurt Valentin, Christiansen, O. & Ruud, K., 2007, In: Chemical Physics Letters. 442, 4-6, p. 322-328

      Research output: Contribution to journal › Journal article › Research › peer-review

    16. Published

      Homogeneous Solvent Models for Linear and Nonlinear Optical Properties

      Mikkelsen, Kurt Valentin, 2007, In: Computing Letters. 3, p. 315-331

      Research output: Contribution to journal › Journal article › Research › peer-review

    17. Published

      Homogeneous and Heterogeneous Solvent Models for Nonlinear Optical Properties

      Mikkelsen, Kurt Valentin & Ågren, H., 2007, Continuum Solvation Models in Chemical Physics. Mennucci, B. & Cammi, R. (eds.). Chichester: Wiley, p. 282-299

      Research output: Chapter in Book/Report/Conference proceeding › Book chapter › Research

    18. Published

      Hybrid Methods for Molecular Properties

      Mikkelsen, Kurt Valentin, 2007, Continuum Solvation Models in Chemical Physics. Mennucci, B. & Cammi, R. (eds.). Chichester: Wiley, p. 538-557

      Research output: Chapter in Book/Report/Conference proceeding › Book chapter › Research

    19. Published

      Hydrogen bonding effects on infrared and Raman spectra of drug molecules

      Bondesson, L., Mikkelsen, Kurt Valentin, Luo, Y., Garberg, P. & Ågren, H., 2007, In: Spectrochimica Acta, Part A. 66, 2, p. 213-224

      Research output: Contribution to journal › Journal article › Research › peer-review

    20. Published

      Modelling Spectroscropic Properties of Large Molecular Systems. The Combined Density Functional Theory/Molecular Mechanics Approach

      Aidas, K., Mikkelsen, Kurt Valentin & Kongsted, J., 2007, In: Journal of Computational Methods in Sciences and Engineering. 7, p. 135-158

      Research output: Contribution to journal › Journal article › Research › peer-review

    21. Published

      Nuclear magnetic shielding constants of liquid water: Insights from hybrid quantum mechanics/molecular mechanics models

      Kongsted, J., Nielsen, C. B., Mikkelsen, Kurt Valentin, Christiansen, O. & Ruud, K., 2007, In: Journal of Chemical Physics. 126, 3, p. 034510

      Research output: Contribution to journal › Journal article › Research › peer-review

    22. Published

      Quantum Nature of the Sign Preference in Ion-Induced Nucleation. Reply to Comment

      Nadykto, A., Natshed, A. A., Mikkelsen, Kurt Valentin, Yu, F. & Ruuskanen, J., 2007, In: Physical Review Letters. 98, 10, p. 109604 1 p.

      Research output: Contribution to journal › Journal article › Research › peer-review

    23. Published

      Solvent effects on NMR isotropic shielding constants. A comparison between explicit polarizable discrete and continuum approaches

      Aidas, K., Møgelhøj, A., Kjær, H., Nielsen, C. B., Mikkelsen, Kurt Valentin, Ruud, K., Christiansen, O. & Kongsted, J., 2007, In: Journal of Physical Chemistry A. 111, 20, p. 4199-4210

      Research output: Contribution to journal › Journal article › Research › peer-review

    24. Published

      Theoretical Methods for Structured Environments

      Mikkelsen, Kurt Valentin, 2007, AIP conference Proceedings. <Forlag uden navn>, Vol. 963. p. 350-355

      Research output: Chapter in Book/Report/Conference proceeding › Article in proceedings › Research › peer-review

    25. Published

      Two-photon Cross-sections of Photosensitizers in Vacuum, in Solution, and within Proteins

      Rehman, M., Olsen, L. & Mikkelsen, Kurt Valentin, 2007, AIP Conference Proceedings. <Forlag uden navn>, Vol. 963. p. 223-226

      Research output: Chapter in Book/Report/Conference proceeding › Article in proceedings › Research › peer-review

    26. 2006
    27. Published

      Microscopic Polarization in Ropes and Films of Aligned Carbon Nanotubes

      Jensen, L., Esbensen, A. L., Åstrand, P. & Mikkelsen, Kurt Valentin, 2006, In: Journal of Computational Methods in Sciences and Engineering. 6, p. 353-364

      Research output: Contribution to journal › Journal article › Research › peer-review

    28. 2005
    29. Published

      2,6,10-Tris(dialkylamino)trioxatriangulenium salt: a new promising fluorophore. Ion-pair formation and aggregation in non-polar solvents

      Laursen, Bo Wegge, Reynisson, J., Mikkelsen, Kurt Valentin, Bechgaard, K. & Harrit, N., 2005, In: Photochemical & Photobiological Sciences. 4, p. 568-576

      Research output: Contribution to journal › Journal article › Research › peer-review

    30. Published

      A molecule wired: electrostatic investigation

      Hansen, Thorsten, Pedersen, T. B. & Mikkelsen, Kurt Valentin, 2005, In: Chemical Physics Letters. 405, p. 118-122

      Research output: Contribution to journal › Journal article › Research › peer-review

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