Kurt Valentin Mikkelsen

Kurt Valentin Mikkelsen

Professor

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    ORCID: 0000-0003-4090-7697

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    1. Published

      Subphthalocyanine-radiaannulene scaffold – a multi-electron acceptor and strong chromophore

      Lissau, H. S., Andersen, C. L., Storm, F. E., Santella, M., Hammerich, Ole, Hansen, Thorsten, Mikkelsen, Kurt Valentin & Nielsen, Mogens Brøndsted, 2018, In: Chemical Communications. 22, p. 2763-2766 4 p., 54.

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

    2. Published

      Subphthalocyanine–triangulene dyads: Property tuning for light-harvesting device applications

      Rasmussen, M. G., Jespersen, M. F., Blacque, O., Mikkelsen, Kurt Valentin, Juríček, M. & Nielsen, Mogens Brøndsted, 2022, In: Energy Science and Engineering. 10, 5, p. 1752–1762 11 p.

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

    3. Published

      Sulfuric acid and sulfuric acid hydrates in the gas phase: A DFT investigation

      Al Natseh, A., Nadykto, A. B., Mikkelsen, Kurt Valentin, Yu, F. & Ruuskanen, J., 2004, In: Journal of Physical Chemistry A. 108, p. 8914-8929

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

    4. Published

      Synthesis of radiaannulene oligomers to model the elusive carbon allotrope 6,6,12-graphyne

      Kilde, M. D., Murray, A. H., Andersen, C. L., Storm, F. E., Schmidt, K., Kadziola, Anders, Mikkelsen, Kurt Valentin, Hampel, F., Hammerich, Ole, Tykwinski, R. R. & Nielsen, Mogens Brøndsted, 16 Aug 2019, In: Nature Communications. 10, 9 p., 3714.

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

    5. Published

      Synthesis of trans-(+-)-1,2,3,3a,4a,5,6,7-Octaphenyl-3aH,4aH-dicyclopenta[b,e][1,4]dithiin by Dimerisation and Further Rearrangement of the Transient 2,3,4,5-Tetraphenyl-2,4-cyclopentadiene-1-thione

      Henriksen, M., Hazell, R. G., Larsen, F. K., Schultz, T., Sylvester-Hvid, K. O., Klabunde, K. J., Mikkelsen, Kurt Valentin & Senning, A., 1998, In: Acta Chem. Scan.. 52, p. 950-957

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

    6. Published

      Synthesis, characterization and computational evaluation of bicyclooctadienes towards molecular solar thermal energy storage

      Quant, M., Hillers-Bendtsen, Andreas Erbs, Ghasemi, S., Erdelyi, M., Wang, Z., Muhammad, L. M., Kann, N., Mikkelsen, Kurt Valentin & Moth-poulsen, K., 2022, In: Chemical Science. 13, 3, p. 834–841 8 p.

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

    7. Published

      Tensor Hypercontraction of Cluster Perturbation Theory: Quartic Scaling Perturbation Series for the Coupled Cluster Singles and Doubles Ground-State Energies

      Hillers-Bendtsen, Andreas Erbs, Mikkelsen, Kurt Valentin & Martinez, T. J., 2024, In: Journal of Chemical Theory and Computation. 20, 5, p. 1932-1943 12 p.

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

    8. Published

      The Cotton-Mouton Effect of liquid water. Part I: The dielectric continuum model

      Ruud, K., Helgaker, T., Rizzo, A., Coriani, S. & Mikkelsen, Kurt Valentin, 1997, In: J. Chem. Phys.. 107, p. 894-901

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

    9. Published

      The Cotton-Mouton effect of liquid water. Part II. The semi-continuum model

      Ruud, K., Ågren, H., Dahle, P., Helgaker, T., Rizzo, A., Coriani, S., Koch, H., Sylvester-Hvid, K. O. & Mikkelsen, Kurt Valentin, 1998, In: J. Chem. Phys.. 108, p. 599-603

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

    10. Published

      The Dalton quantum chemistry program system

      Aidas, K., Angeli, C., Bak, K. L., Bakken, V., Bast, R., Boman, L., Christiansen, O., Cimiraglia, R., Coriani, S., Dahle, P., Dalskov, E. K., Ekström, U., Enevoldsen, T., Eriksen, J. J., Ettenhuber, P., Fernández, B., Ferrighi, L., Fliegl, H., Frediani, L., Hald, K. & 64 others, Halkier, A., Hättig, C., Heiberg, H., Helgaker, T., Hennum, A. C., Hettema, H., Hjertenæs, E., Høst, S., Høyvik, I., Iozzi, M. F., Jansik, B., Jensen, H. J. A., Jonsson, D., Jørgensen, P., Kauczor, J., Kirpekar, S., Kjærgaard, T., Klopper, W., Knecht, S., Kobayashi, R., Koch, H., Kongsted, J., Krapp, A., Kristensen, K., Ligabue, A., Lutnæs, O. B., Melo, J. I., Mikkelsen, Kurt Valentin, Myhre, R. H., Neiss, C., Nielsen, C. B., Norman, P., Olsen, J., Olsen, J. M. H., Osted, A., Packer, M. J., Pawlowski, F., Pedersen, T. B., Provasi, P. F., Reine, S., Rinkevicius, Z., Ruden, T. A., Ruud, K., Rybkin, V., Salek, P., Samson, C. C. M., Sánchez de Merás, A., Saue, T., Sauer, Stephan P. A., Schimmelpfennig, B., Sneskov, K., Steindal, A. H., Sylvester–Hvid, K. O., Taylor, P. R., Teale, A. M., Tellgren, E. I., Tew, D. P., Thorvaldsen, A. J., Thøgersen, L., Vahtras, O., Watson, M. A., Wilson, D. J. D., Ziolkowski, M. & Ågren, H., 2014, In: Wiley Interdisciplinary Reviews: Computational Molecular Science. 4, 3, p. 269-284 16 p.

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

    11. Published

      The Effect of Solvation on the Mean Excitation Energy of Glycine

      Aidas, K., Kongsted, J., Sabin, J. R., Oddershede, J., Mikkelsen, Kurt Valentin & Sauer, Stephan P. A., 2010, In: The Journal of Physical Chemistry Letters. 1, p. 242-245

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

    12. Published

      The Effects of Solvent Dynamics on the Back Reaction of Solar-Thermal Energy Storage Systems

      Kjeldsen, Ida Lützen Hoff, Høvring, J. F., Hillers-Bendtsen, Andreas Erbs & Mikkelsen, Kurt Valentin, 2023, In: Journal of Physical Chemistry A. 127, 34, p. 7058-7069 12 p.

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

    13. Published

      The Magnetizability Anisotropy and Rotational g Factor of Deuterium Hydride and the Deuterium Molecule

      Åstrand, P., Ruud, K., Mikkelsen, Kurt Valentin & Helgaker, T., 1997, In: Chemical Physics Letters. 271, p. 163-166

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

    14. Published

      The QM/MM approach for wavefunctions, energies and response functions within self-consistent field and coupled cluster theories

      Kongsted, J., Osted, A. I., Mikkelsen, Kurt Valentin & Christiansen, O., 2002, In: Molecular Physics. 100, p. 1813-1828

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

    15. Published

      The Switching Mechanisms of Dihydroazulene /Vinylheptafulvene Photo-/Thermoswitches

      Gertsen , A. S. & Mikkelsen, Kurt Valentin, 2023, In: Japan Journal of Research. 4, 6, 10 p.

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

    16. Published

      The a1 Δg → X3 Σg- transition in molecular oxygen: Interpretation of solvent effects on spectral shifts

      Poulsen, T. D., Ogilby, P. R. & Mikkelsen, Kurt Valentin, 1999, In: Journal of Physical Chemistry A. 103, p. 3418-3422

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

    17. Published

      The chemistry of Coulomb blockade diamonds for 1,4-diamino-benzene

      Olsen, S. T., Hansen, Thorsten, Kongsted, J. & Mikkelsen, Kurt Valentin, 2015, In: Chemical Physics. 459, p. 40-44 5 p.

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

    18. Published

      The combined multiconfigurational self-consistent-field/molecular mechanics wave function approach

      Poulsen, T. D., Kongsted, J., Osted, A. I., Ogilby, P. R. & Mikkelsen, Kurt Valentin, 2001, In: Journal of Chemical Physics. 115, p. 2393-2400

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

    19. Published

      The effects of solvation on the back reaction and storage capabilities of solar thermal energy storage systems

      Kjeldsen, Ida Lützen Hoff, Høvring, J. F., Von Buchwald, T. J., Hillers-Bendtsen, Andreas Erbs & Mikkelsen, Kurt Valentin, 2022, In: Physical Chemistry Chemical Physics. 24, 9, p. 5564–5577 14 p.

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

    20. Published

      The hyperpolarizability depolarization ratie of nitroanilines

      Norman, P., Luo, Y., Sylvester-Hvid, K., Mikkelsen, Kurt Valentin & Ågren, H., 1997, In: J. Chem. Phys.. 107, p. 9063-

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

    21. Published

      The influence of gold nanoparticles on the two photon absorption of photochromic molecular systems

      Hillers-Bendtsen, Andreas Erbs & Mikkelsen, Kurt Valentin, 2019, In: Physical Chemistry Chemical Physics. 21, 34, p. 18577-18588 12 p.

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

    22. Published

      The influence of nanoparticles on the excitation energies of the photochromic dihydroazulene/vinylheptafulvene system

      Hillers-Bendtsen, Andreas Erbs, Hansen, M. H. & Mikkelsen, Kurt Valentin, 28 Mar 2019, In: Physical Chemistry Chemical Physics. 21, 12, p. 6689-6698

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

    23. Published

      The influence of nanoparticles on the polarizabilities and hyperpolarizabilities of photochromic molecules

      Boye, I. M. I., Hansen, M. H. & Mikkelsen, Kurt Valentin, 2018, In: Physical Chemistry Chemical Physics. 20, 36, p. 23320-23327 8 p.

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

    24. Published

      The influence of silver and copper nanoparticles on the optical properties of photochromic molecules

      Kjeldal, F. Ø., Hillers-Bendtsen, Andreas Erbs & Mikkelsen, Kurt Valentin, 2023, In: Nanosci Nanotechnol . 2, 16 p., 1018 .

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

    25. Published

      The iterative self-consistent reaction-field method: The refractive index of pure water

      Sylvester-Hvid, K. O., Mikkelsen, Kurt Valentin & Ratner, M. A., 2011, In: International Journal of Quantum Chemistry. 111, 4, p. 904-913

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

    26. Published

      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. 8624-8632

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

    27. Published

      The quest for determining one-electron redox potentials of azulene-1-carbonitriles by calculation

      Ree, Nicolai, Andersen, C. L., Kilde, M. D., Hammerich, Ole, Nielsen, Mogens Brøndsted & Mikkelsen, Kurt Valentin, 2018, In: Physical Chemistry Chemical Physics. 11, p. 7438-7446 9 p., 20.

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

    28. Published

      The riddle of the forbidden UV absorption of aqueous nitrate: the oscillator strength of the n → π* transition in NO3- including second order vibronic coupling

      Pedersen, P. D., Rasmussen, Maria Harris, Mikkelsen, Kurt Valentin & Johnson, Matthew Stanley, 2019, In: Physical Chemistry Chemical Physics. 21, 42, p. 23466-23472

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

    29. 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. 8795-8800

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

    30. Published

      The unexpected effect of aqueous ion pairs on the forbidden n → π∗ transition in nitrate

      Pedersen, P. D., Mikkelsen, Kurt Valentin & Johnson, Matthew Stanley, 28 May 2020, In: Physical Chemistry Chemical Physics. 22, 20, p. 11678-11685 8 p.

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

    31. Published

      Theoretical Investigation of OPV5’s Transport Properties in the Coulomb Blockade Regime

      Prestholm, I., Olsen, S. T., Hansen, Thorsten & Mikkelsen, Kurt Valentin, 2022, In: Chemical Engineering & Process Techniques. 7, 1, 7 p., 1064.

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

    32. Published

      Theoretical Investigation on the Control of Macrocyclic Dihydroazulene/Azobenzene Photoswitches

      Abedi, M., Papai, M., Henriksen, N. E., Moller, K. B., Nielsen, Mogens Brøndsted & Mikkelsen, Kurt Valentin, 24 Oct 2019, In: Journal of Physical Chemistry C. 123, 42, p. 25579-25584

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

    33. Published

      Theoretical Investigations of Dye-Sensitized Solar Cells

      Chen, Jing, Vishart, A. L., Sauer, Stephan P. A. & Mikkelsen, Kurt Valentin, 8 Aug 2023, In: Journal of Nanotechnology and Nanomaterials. 4, 2, p. 38-54 17 p.

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

    34. 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

    35. Published

      Theoretical Studies of Molecular Properties and Chemical Reactions in Solution

      Mikkelsen, Kurt Valentin, 1997, København: H.C.Ø.-Tryk.

      Research output: Book/Report › Doctoral thesis › Research

    36. Published

      Theoretical Study of the NMR Chemical Shift of Xe in Supercritical Condition

      Lacerda Junior, E. G., Sauer, Stephan P. A., Mikkelsen, Kurt Valentin, Coutinho, K. & Canuto, S., 2018, In: Journal of Molecular Modeling. 24, 7 p., 62.

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

    37. Published

      Theoretical investigation of substituent effects on the dihydroazulene/vinylheptafulvene photoswitch: increasing the energy storage capacity

      Hansen, M. H., Elm, J., Olsen, S. T., Gejl, A. N., Storm, F. E., Frandsen, B. N., Skov, A. B., Nielsen, Mogens Brøndsted, Kjærgaard, Henrik Grum & Mikkelsen, Kurt Valentin, 2016, In: Journal of Physical Chemistry A. 120, 49, p. 9782-9793 12 p.

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

    38. Published

      Theory of Hyperfine Coupling Constants of Solvated Molecules. Applications involving methyl and ClO2 radicals in different solvents

      Fernandez, B., Christensen, O., Bludsky, O., Jørgensen, P. & Mikkelsen, Kurt Valentin, 1996, In: J. Chem. Phys.. 104, p. 629-35

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

    39. Published

      Theory of solvent effects on electronic spectra

      Ågren, H. & Mikkelsen, Kurt Valentin, 1991, In: Journal of Molecular Structure: THEOCHEM. 234, p. 425-67

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

    40. Published

      Thieno-Fused Subporphyrazines: A New Class of Light Harvesters

      Gotfredsen, H., Storm, F. E., Viñas Muñoz, A., Santella, M., Kadziola, Anders, Hammerich, Ole, Mikkelsen, Kurt Valentin & Nielsen, Mogens Brøndsted, 2017, In: Chemistry: A European Journal. 23, 64, p. 16194-16198 5 p.

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

    41. Published

      Time-resolved two-photon photomission spectroscopy of image potential states: A phenomenological approach

      Jørgensen, S., Ratner, M. A. & Mikkelsen, Kurt Valentin, 2001, In: Journal of Chemical Physics. 115, p. 4314-4321

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

    42. Published

      Towards Storage of Solar Energy in Photochromic Molecules: Benzannulation of the Dihydroazulene/Vinylheptafulvene Couple

      Skov, A. B., Petersen, J. F., Elm, J., Frandsen, B. N., Santella, M., Kilde, M. D., Kjærgaard, Henrik Grum, Mikkelsen, Kurt Valentin & Nielsen, Mogens Brøndsted, 2017, In: ChemPhotoChem. 1, 5, p. 206-212 7 p.

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

    43. Published

      Towards solar energy storage in the photochromic dihydroazulene-vinylheptafulvene system

      Cacciarini, Martina, Skov, A. B., Jevric, M., Hansen, A. S., Elm, J., Kjærgaard, Henrik Grum, Mikkelsen, Kurt Valentin & Nielsen, Mogens Brøndsted, 2015, In: Chemistry: A European Journal. 21, 20, p. 7454-7461 8 p.

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

    44. Published

      Tracking molecular resonance forms of donor-acceptor push-pull molecules by single-molecule conductance experiments

      Lissau, H. S., Frisenda, R., Olsen, S. T., Jevric, M., Parker, C. R., Kadziola, Anders, Hansen, Thorsten, van der Zant, H. S. J., Nielsen, Mogens Brøndsted & Mikkelsen, Kurt Valentin, 2015, In: Nature Communications. 6, 8 p., 10233.

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

    45. Published

      Tuning the dihydroazulene–vinylheptafulvene couple for storage of solar energy

      Nielsen, Mogens Brøndsted, Ree, Nicolai, Mikkelsen, Kurt Valentin & Cacciarini, M., 2020, In: Russian Chemical Reviews. 89, 5, p. 573-586

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

    46. Published

      Two-Photon Singlet Oxygen Sensitizers: Quantifying Modeling, and Optimizing the Two-Photon Absorption Cross Section

      Poulsen, T. D., Frederiksen, P. K., Jørgensen, M., Mikkelsen, Kurt Valentin & Ogilby, P. R., 2001, In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory. A 105, p. 11488-11495

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

    47. 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

    48. Published

      Two-photon photosensitized production of singlet oxygen in water

      Frederiksen, P. K., McIlroy, S. P., Nielsen, C. B., Nikolajsen, L., Skovsen, E., Jørgensen, M., Mikkelsen, Kurt Valentin & Ogilby, P. R., 2005, In: Journal of the American Chemical Society. 127, p. 255-269

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

    49. Published

      Two-photon photosensitized production of singlet oxygen: Sensitizers with phenylene-ethynylene-based chromophores

      McIlroy, S. P., Cló, E., Nicolajsen, L., Frederiksen, P. K., Nielsen, C. B., Mikkelsen, Kurt Valentin, Gothelf, K. V. & Ogilby, P. R., 2005, In: Journal of Organic Chemistry. 70, p. 1134-1146

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

    50. Published

      Unique determination of the cavity radius in Onsager reaction field theory

      Luo, Y., Ågren, H. & Mikkelsen, Kurt Valentin, 1997, In: Chemical Physics Letters. 275, p. 145-150

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

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