Kurt Valentin Mikkelsen

Kurt Valentin Mikkelsen

Professor

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    ORCID: 0000-0003-4090-7697

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    1. Published

      Interpretation of the ultrafast photoinduced processes in pentacene thin films

      Kuhlman, T. S., Kongsted, J., Mikkelsen, Kurt Valentin, Møller, K. B. & Sølling, Theis Ivan, 17 Mar 2010, In: Journal of the American Chemical Society. 132, 10, p. 3431-9 9 p.

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

    2. Published

      Investigation of Coulomb blockade diamonds of 7-helicenes interacting with gold nanoparticles

      Jensen, M. D., Hansen, C. T., Hillers-Bendtsen, Andreas Erbs & Mikkelsen, Kurt Valentin, 2023, In: Chemical Physics Letters. 830, 5 p., 140761.

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

    3. Published

      Investigation of Solvent Effects on the Molecular Energy Storage and Optical Properties of Bicyclooctadiene/Tetracyclooctane Photoswitches

      Hillers-Bendtsen, Andreas Erbs, Zhou, Y. & Mikkelsen, Kurt Valentin, 2024, In: Journal of Physical Chemistry A. 128, p. 41-50 10 p.

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

    4. Published

      Investigation of particle-molecule interaction by use of a dielectric continuum model

      Sloth, M., Jørgensen, S., Bilde, M. & Mikkelsen, Kurt Valentin, 2003, In: Journal of Physical Chemistry A. 107, p. 8623-8629

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

    5. 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. 5319-5331

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

    6. Published

      Investigation of the Structural and Thermochemical Properties of [2.2.2]-Bicyclooctadiene Photoswitches

      Hillers-Bendtsen, Andreas Erbs, Quant, M., Moth-Poulsen, K. & Mikkelsen, Kurt Valentin, 2021, In: Journal of Physical Chemistry A. 125, 48, p. 10330−10339 10 p.

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

    7. Published

      Lagring af solenergi i molekylære batterier

      Olsen, S. T., Nielsen, Mogens Brøndsted, Kjærgaard, Henrik Grum & Mikkelsen, Kurt Valentin, 2017, In: Dansk Kemi. 98, 10, p. 16-19 4 p.

      Research output: Contribution to journal › Journal article › Communication

    8. Published

      Linear Optical Absorptions of Photo/Thermochromic Organic Molecules Interacting with a Gold Nanoparticle

      Essenbæk, D. N., Hillers-Bendtsen, Andreas Erbs & Mikkelsen, Kurt Valentin, 2022, In: Asian Journal of Applied Chemistry Research. 16 p.

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

    9. 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

    10. Published

      Linear response functions for coupled cluster/molecule mechanics including polarization interactions

      Kongsted, J., Osted, A. I., Mikkelsen, Kurt Valentin & Christiansen, O., 2003, In: Journal of Chemical Physics. 118, p. 1620-1633

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

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

    12. Published

      Luminescence Spectroscopy of Rhodamine Homodimer Dications in Vacuo Reveals Strong Dye-Dye Interactions

      Kjaer, C., Lissau, H., Gravesen Salinas, N. K., Østergaard Madsen, A., Stockett, M. H., Storm, F. E., Holm Hansen, T., Andersen, J. U., Laursen, Bo Wegge, Mikkelsen, Kurt Valentin, Nielsen, Mogens Brøndsted & Brøndsted Nielsen, S., 2019, In: ChemPhysChem. 20, 4, p. 533-537 5 p.

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

    13. Published

      MP2 correlation effects upon the electronic and vibrational properties of polyyne

      Poulsen, T. D., Mikkelsen, Kurt Valentin, Fripiat, J. G., Jacquemin, D. & Champagne, B., 2001, In: Journal of Chemical Physics. 114, p. 5917-5922

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

    14. Published

      Machine learning the frontier orbital energies of SubPc based triads

      Storm, F. E., Folkmann, L. M., Hansen, Thorsten & Mikkelsen, Kurt Valentin, 2022, In: Journal of Molecular Modeling. 28, 10, 13 p., 313.

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

    15. 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. 19771-19782

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

    16. Published

      Magnetizability and Nuclear Shielding Constants of Solvated Water

      Mikkelsen, Kurt Valentin, Ruud, K. & Helgaker, T., 1996, In: Chemical Physics Letters. 253, p. 443-447

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

    17. Published

      Massively parallel GPU enabled third-order cluster perturbation excitation energies for cost-effective large scale excitation energy calculations

      Hillers-Bendtsen, Andreas Erbs, Bykov, D., Barnes, A., Liakh, D., Corzo, H. H., Olsen, J., Jørgensen, P. & Mikkelsen, Kurt Valentin, 2023, In: Journal of Chemical Physics. 158, 14, 144111.

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

    18. Published

      Mechanism of Photoinduced Dihydroazulene Ring-Opening Reaction

      Abedi, M., Papai, M., Mikkelsen, Kurt Valentin, Henriksen, N. E. & Moller, K. B., 18 Jul 2019, In: Journal of Physical Chemistry Letters. 10, 14, p. 3944-3949

      Research output: Contribution to journal › Letter › Research › peer-review

    19. 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

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

    21. Published

      Modeling Absorption and Emission Spectroscopies of Symmetric and Asymmetric Azaoxahelicenes in Vacuum and Solution

      Hillers-Bendtsen, Andreas Erbs, Todarwal, Y., Pittelkow, Michael, Norman, P. & Mikkelsen, Kurt Valentin, 2022, In: Journal of Physical Chemistry A. 126, 37, p. 6467−6472 6 p.

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

    22. 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

    23. 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. 4843-48

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

    24. Published

      Molecular Properties of Sandwiched Molecules Between Electrodes and Nanoparticles

      Olsen, S. T., Bols, A., Hansen, Thorsten & Mikkelsen, Kurt Valentin, 2017, Advances in Quantum Chemistry: Ratner Volume. Sabin, J. R. & Brändas, E. J. (eds.). Cambridge, MA: Academic Press, Vol. 75. p. 53-102 50 p. (Advances in Quantum Chemistry).

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

    25. Published

      Molecular Response Method for Solvated Molecules in Nonequlibrium Solvation

      Mikkelsen, Kurt Valentin & Sylvester-Hvid, K. O., 1996, In: J. Phys. Chem.. 100, p. 9116-26

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

    26. Published

      Molecular Solar Thermal Energy Storage Systems with Long Discharge Times Based on the Dihydroazulene/Vinylheptafulvene Couple

      Mogensen, J., Christensen, O., Kilde, M. D., Abildgaard, M., Metz, L., Kadziola, Anders, Jevric, M., Mikkelsen, Kurt Valentin & Nielsen, Mogens Brøndsted, 2019, In: European Journal of Organic Chemistry. 2019, 10, p. 1986-1993 8 p.

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

    27. Published

      Molecular electric properties of liquid water calculated using the combined coupled cluster/molecular mechanics method

      Kongsted, J., Osted, A. I., Mikkelsen, Kurt Valentin & Christiansen, O., 2003, In: Journal of Molecular Structure: THEOCHEM. 632, p. 207-225

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

    28. Published

      Molecular interaction of pinic acid with sulfuric acid: exploring the thermodynamic landscape of cluster growth

      Elm, J., Kurtén, T., Bilde, M. & Mikkelsen, Kurt Valentin, 2014, In: Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical. 118, 36, p. 7892-900 9 p.

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

    29. Published

      Molecular mechanics interaction models for optical electronic properties

      Jensen, L., Åstrand, P. & Mikkelsen, Kurt Valentin, 2009, In: Journal of Computational and Theoretical Nanoscience. 6, p. 270-291

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

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

    31. Published

      Molecular solar thermal energy storage properties of photochromic molecules physisorbed onto nanoparticles

      Hillers-Bendtsen, Andreas Erbs, Kjeldal, F. Ø. & Mikkelsen, Kurt Valentin, 2019, In: Chemical Physics Letters. 733, p. 1-6 136661.

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

    32. Published

      Molecular solar thermal systems - control of light harvesting and energy storage by protonation/deprotonation

      Kilde, M. D., Arroyo, P. G., Gertsen, A. S., Mikkelsen, Kurt Valentin & Nielsen, Mogens Brøndsted, 2018, In: R S C Advances. 8, 12, p. 6356-6364 9 p.

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

    33. Published

      Multistate Photoswitches: Macrocyclic Dihydroazulene/Azobenzene Conjugates

      Vlasceanu, A., Madsen, M. K., Skov, A. B., Mikkelsen, Kurt Valentin & Nielsen, Mogens Brøndsted, 2018, In: Angewandte Chemie International Edition. 57, 21, p. 6069-6072 4 p.

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

    34. 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

    35. Published

      Nonlinear Optical Response of Molecules in a Nonequilibrium and a Equilibrium Solvation Model

      Sylvester-Hvid, K. O., Mikkelsen, Kurt Valentin, Jonson, D., Norman, P. & Ågren, H., 1998, In: J. Chem. Phys.. 109, p. 5576-5584

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

    36. Published

      Nonlinear optical effects induced by nanoparticles in symmetric molecules

      Hansen, T., Hansen, Thorsten, Arcisauskaité, V., Mikkelsen, Kurt Valentin, Kongsted, J. & Mujica, V., 2010, In: Journal of Physical Chemistry Part C: Nanomaterials and Interfaces. 114, p. 20870–20876

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

    37. Published

      Nonlinear optical properties of solvated molecules

      Mikkelsen, Kurt Valentin, 2010, In: Journal of Computational Methods in Sciences and Engineering. 10, p. 1-11

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

    38. Published

      Nonlinear optical response of molecule in inhomogeneous solvation environment: A response theory formalism

      Jørgensen, S., Ratner, M. A. & Mikkelsen, Kurt Valentin, 2001, In: Journal of Chemical Physics. 115, p. 8185-8192

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

    39. Published

      Nonlinear optical response properties of molecules in condensed phases using the coupled cluster/dielectric continuum or molecular mechanics methods

      Kongsted, J., Osted, A. I., Mikkelsen, Kurt Valentin & Christiansen, O., 2003, In: Journal of Chemical Physics. 119, p. 10519-10535

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

    40. Published

      Norbornadiene-dihydroazulene conjugates

      Kilde, M. D., Mansø, M., Ree, Nicolai, Petersen, A. U., Moth-Poulsen, K., Mikkelsen, Kurt Valentin & Nielsen, Mogens Brøndsted, 2019, In: Organic & Biomolecular Chemistry. 17, 33, p. 7735-7746

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

    41. 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

    42. 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

    43. Published

      Næsten usynlig: elektronik på atomniveau

      Olsen, S. T., Nielsen, Mogens Brøndsted & Mikkelsen, Kurt Valentin, 2017, In: Dansk Kemi. 98, 11-12, p. 18-21 4 p.

      Research output: Contribution to journal › Journal article › Communication

    44. Published

      Obtaining enhanced circular dichroism in [4]Heterohelicenium analogues

      Elm, J., Jørgensen, J. L., Sørensen, Thomas Just, Laursen, Bo Wegge & Mikkelsen, Kurt Valentin, 2012, In: Journal of Physical Chemistry A. 116, 34, p. 8744-8752 9 p.

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

    45. 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

    46. Published

      On the accurate calculation of polarizabilities and second hyperpolarizabilities of polyacetylene oligomer chains using the Coulomb-attenuating CAM-B3LYP density functional

      Limacher, P., Mikkelsen, Kurt Valentin & Lüthi, H. P., 2009, In: Journal of Chemical Physics. 130, p. 194114

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

    47. Published

      On the existence of the H3 tautomer of adenine in aqueous solution. Rationalizations based on hybrid quantum mechanics/molecular mechanics predictions

      Aidas, K., Mikkelsen, Kurt Valentin & Kongsted, J., 21 Jan 2010, In: Physical Chemistry Chemical Physics. 12, 3, p. 761-8 8 p.

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

    48. Published

      On the importance of excited state dynamic response electron correlation in polarizable embedding methods

      Eriksen, J. J., Sauer, Stephan P. A., Mikkelsen, Kurt Valentin, Jensen, H. J. A. & Kongsted, J., 2012, In: Journal of Computational Chemistry. 33, 25, p. 2012-2022 11 p.

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

    49. 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

    50. Published

      Optical properties of pyridine and methyl-pyridinium in water using DFT/MM

      Nielsen, C. B. O. & Mikkelsen, Kurt Valentin, 2015, In: Molecular Physics. 113, 21, p. 3253-3263 11 p.

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

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