Kurt Valentin Mikkelsen

Kurt Valentin Mikkelsen

Professor

Member of:

    ORCID: 0000-0003-4090-7697

    Publication year:
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    101 - 150 out of 304Page size: 50
    1. 2018
    2. 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

    3. 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

    4. 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

    5. 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

    6. 2017
    7. Published

      A DFT Study of Multimode Switching in a Combined DHA/VHF-DTE/DHB System for Use in Solar Heat Batteries

      Gertsen, A. S., Olsen, S. T., Broman, S. L., Nielsen, Mogens Brøndsted & Mikkelsen, Kurt Valentin, 2017, In: The Journal of Physical Chemistry Part C. 121, 1, p. 195-201 7 p.

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

    8. Published

      A Study of Electrocyclic Reactions in a Molecular Junction: Mechanistic and Energetic Requirements for Switching in the Coulomb Blockade Regime

      Olsen, S. T., Nielsen, Mogens Brøndsted, Hansen, Thorsten, Ratner, M. A. & Mikkelsen, Kurt Valentin, 2017, In: ChemPhysChem. 18, 12, p. 1517-1525 9 p.

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

    9. Published

      Benchmark Study of the Structural and Thermochemical Properties of a Dihydroazulene/Vinylheptafulvene Photoswitch

      Koerstz, M., Elm, J. & Mikkelsen, Kurt Valentin, 2017, In: Journal of Physical Chemistry A. 121, 16, p. 3148-3154 7 p.

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

    10. Published

      Density Functional Theory Study of the Solvent Effects on Systematically Substituted Dihydroazulene/Vinylheptafulvene Systems: Improving the Capability of Molecular Energy Storage

      Ree, Nicolai, Hansen, M. H., Gertsen, A. S. & Mikkelsen, Kurt Valentin, 2017, In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory. 121, 46, p. 8856-8865 10 p.

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

    11. Published

      Dialkylated Dihydroazulene and Vinylheptafulvene Derivatives - Synthesis and Switching Properties

      Lubrin, N. C. M., Vlasceanu, A., Frandsen, B. N., Skov, A. B., Kilde, M. D., Mikkelsen, Kurt Valentin & Nielsen, Mogens Brøndsted, 2017, In: European Journal of Organic Chemistry. 20, p. 2932-2939 8 p.

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

    12. Published

      Expanding the Hammett Correlations for the Vinylheptafulvene Ring-Closure Reaction

      Kilde, M. D., Hansen, M. H., Broman, S. L., Mikkelsen, Kurt Valentin & Nielsen, Mogens Brøndsted, 2017, In: European Journal of Organic Chemistry. 6, p. 1052-1062 11 p.

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

    13. 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

    14. 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

    15. 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

    16. Published

      Photoswitchable Dihydroazulene Macrocycles for Solar Energy Storage: The Effects of Ring Strain

      Vlasceanu, A., Frandsen, B. N., Skov, A. B., Hansen, A. S., Rasmussen, M. G., Kjærgaard, Henrik Grum, Mikkelsen, Kurt Valentin & Nielsen, Mogens Brøndsted, 2017, In: The Journal of Organic Chemistry. 82, 19, p. 10398-10407 10 p.

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

    17. Published

      Predicting transport regime and local electrostatic environment from Coulomb blockade diamond sizes

      Olsen, S. T., Hansen, Thorsten & Mikkelsen, Kurt Valentin, 2017, In: Journal of Chemical Physics. 146, 10, 6 p., 104306.

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

    18. Published

      Single-molecule detection of dihydroazulene photo-thermal reaction using break junction technique

      Huang, C., Jevric, M., Borges, A. C., Olsen, S. T., Hamill, Joseph Martin, Zheng, J. T., Yang, Y., Rudnev, A., Baghernejad, M., Broekmann, P., Petersen, A. U., Wandlowski, T., Mikkelsen, Kurt Valentin, Solomon, Gemma C., Nielsen, Mogens Brøndsted & Hong, W., 2017, In: Nature Communications. 8, 7 p., 15436.

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

    19. Published

      Stepwise "Dark Photoswitching" of Photochromic Dimers in a Junction

      Olsen, S. T., Hansen, Thorsten, Nielsen, Mogens Brøndsted, Ratner, M. A. & Mikkelsen, Kurt Valentin, 2017, In: The Journal of Physical Chemistry Part C. 121, 6, p. 3163-3170 8 p.

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

    20. 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

    21. 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

    22. 2016
    23. Published

      Aromaticity-controlled energy storage capacity of the dihydroazulene-vinylheptafulvene photochromic system

      Skov, A. B., Broman, S. L., Gertsen, A. S., Elm, J., Jevric, M., Cacciarini, Martina, Kadziola, Anders, Mikkelsen, Kurt Valentin & Nielsen, Mogens Brøndsted, 2016, In: Chemistry: A European Journal. 22, 41, p. 14567-14575 9 p.

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

    24. Published

      Azulenium chemistry: towards new derivatives of photochromic dihydroazulenes

      Petersen, A. U., Jevric, M., Elm, J., Olsen, S. T., Tortzen, C., Kadziola, Anders, Mikkelsen, Kurt Valentin & Nielsen, Mogens Brøndsted, 2016, In: Organic & Biomolecular Chemistry. 14, 8, p. 2403-2412 10 p.

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

    25. Published

      Boron subphthalocyanine based molecular triad systems for the capture of solar energy

      Storm, F. E., Olsen, S. T., Hansen, Thorsten, De Vico, L., Jackson, N. E., Ratner, M. A. & Mikkelsen, Kurt Valentin, 2016, In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory. 120, 39, p. 7694-7703 10 p.

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

    26. Published

      Characterisation of dihydroazulene and vinylheptafulvene derivatives using Raman spectroscopy: the CN-stretching region

      Hansen, A. S., Mackeprang, K., Broman, S. L., Hansen, M. H., Gertsen, A. S., Kildgaard, J. V., Nielsen, O. F., Mikkelsen, Kurt Valentin, Nielsen, Mogens Brøndsted & Kjærgaard, Henrik Grum, 2016, In: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 161, p. 70-76 7 p.

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

    27. Published

      Fine-tuning the lifetimes and energy storage capacities of meta-stable vinylheptafulvenes via substitution at the vinyl position

      Cacciarini, M., Jevric, M., Elm, J., Petersen, A. U., Mikkelsen, Kurt Valentin & Nielsen, Mogens Brøndsted, 2016, In: R S C Advances. 6, 54, p. 49003-49010 8 p.

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

    28. Published

      First hyperpolarizability of para-aminoaniline induced by a variety of gold nano particles

      Olsen, S. T. & Mikkelsen, Kurt Valentin, 2016, In: Physical Chemistry Chemical Physics. 18, 35, p. 24343-24349 7 p.

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

    29. Published

      Solar thermal energy storage in a photochromic macrocycle

      Vlasceanu, A., Broman, S. L., Hansen, A. S., Skov, A. B., Cacciarini, Martina, Kadziola, Anders, Kjærgaard, Henrik Grum, Mikkelsen, Kurt Valentin & Nielsen, Mogens Brøndsted, 2016, In: Chemistry: A European Journal. 22, 31, p. 10796-10800 5 p.

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

    30. 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

    31. 2015
    32. Published

      Computational methodology study of the optical and thermochemical properties of a molecular photoswitch

      Olsen, S. T., Elm, J., Storm, F. E., Gejl, A. N., Hansen, A. S., Hansen, M. H., Nikolajsen, J. R., Nielsen, Mogens Brøndsted, Kjærgaard, Henrik Grum & Mikkelsen, Kurt Valentin, 2015, In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory. 119, 5, p. 896−904 9 p.

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

    33. Published

      Computational study of the effect of glyoxal-sulfate clustering on the Henry's Law coefficient of glyoxal

      Kurtén, T., Elm, J., Prisle, N. L., Mikkelsen, Kurt Valentin, Kampf, C. J., Waxman, E. M. & Volkamer, R., 2015, In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory. 119, 19, p. 4509-4514 6 p.

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

    34. Published

      Controlling two-step multimode switching of Dihydroazulene photoswitches

      Petersen, A. U., Broman, S. L., Olsen, S. T., Hansen, A. S., Du, L., Kadziola, Anders, Hansen, Thorsten, Kjærgaard, Henrik Grum, Mikkelsen, Kurt Valentin & Nielsen, Mogens Brøndsted, 2015, In: Chemistry: A European Journal. 21, 10, p. 3968-3977 10 p.

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

    35. Published

      Dark photoswitching induces Coulomb blockade diamond collapse

      Olsen, S. T., Hansen, Thorsten & Mikkelsen, Kurt Valentin, 2015, In: The Journal of Physical Chemistry Part C. 119, 27, p. 14829-14833 5 p.

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

    36. Published

      Gas-phase spectroscopy of a vinylheptafulvene chromophore

      Elm, J., Stockett, M., Houmøller, J., Petersen, M. Å., Mikkelsen, Kurt Valentin, Nielsen, Mogens Brøndsted & Nielsen, S. B., 2015, In: European Journal of Mass Spectrometry. 21, 3, p. 569–577 9 p.

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

    37. Published

      Glyoxal and methylglyoxal Setschenow salting constants in sulfate, nitrate, and chloride solutions: measurements and Gibbs energies

      Waxman, E. M., Elm, J., Kurtén, T., Mikkelsen, Kurt Valentin, Ziemann, P. J. & Volkamer, R., 2015, In: Environmental Science & Technology. 49, 19, p. 11500-11508 9 p.

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

    38. 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

    39. Published

      Rayleigh light scattering properties of atmospheric molecular clusters consisting of sulfuric acid and bases

      Elm, J., Norman, P. & Mikkelsen, Kurt Valentin, 2015, In: Physical Chemistry Chemical Physics. 17, 24, p. 15701-15709 9 p.

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

    40. 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

    41. 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

    42. 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

    43. 2014
    44. Published

      A hybrid density functional theory/molecular mechanics approach for linear response properties in heterogeneous environments

      Rinkevicius, Z., Li, X., Sandberg, J. A. R., Mikkelsen, Kurt Valentin & Agren, H., 2014, In: Journal of Chemical Theory and Computation. 10, 3, p. 989-1003 15 p.

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

    45. Published

      Computational approaches for efficiently modelling of small atmospheric clusters

      Elm, J. & Mikkelsen, Kurt Valentin, 2014, In: Chemical Physics Letters. 615, p. 26-29 4 p.

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

    46. Published

      Computational assignment of redox states to Coulomb blockade diamonds

      Olsen, S. T., Arcisauskaite, V., Hansen, Thorsten, Kongsted, J. & Mikkelsen, Kurt Valentin, 2014, In: Physical Chemistry Chemical Physics. 16, 33, p. 17473-17478 6 p.

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

    47. Published

      Computational study of the Rayleigh light scattering properties of atmospheric pre-nucleation clusters

      Elm, J., Norman, P., Bilde, M. & Mikkelsen, Kurt Valentin, 2014, In: Physical Chemistry Chemical Physics. 16, 22, p. 10883-10890 8 p.

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

    48. 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

    49. Published

      QM/MM-MD simulations of conjugated polyelectrolytes: a study of luminescent conjugated oligothiophenes for use as biophysical probes

      Sjöqvist, J., Linares, M., Mikkelsen, Kurt Valentin & Norman, P., 2014, In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory. 118, 19, p. 3419-3428 10 p.

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

    50. 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

    51. 2013
    52. Published

      Ambient reaction kinetics of atmospheric oxygenated organics with the OH radical: a computational methodology study

      Elm, J., Jørgensen, Solvejg, Bilde, M. & Mikkelsen, Kurt Valentin, 2013, In: Physical Chemistry Chemical Physics. 15, 24, p. 9636-9645 10 p.

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

    53. Published

      Assessment of binding energies of atmospherically relevant clusters

      Elm, J., Bilde, M. & Mikkelsen, Kurt Valentin, 2013, In: Physical Chemistry Chemical Physics. 15, 39, p. 16442-16445 4 p.

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

    54. Published

      Failures of TDDFT in describing the lowest intramolecular charge-transfer excitation in para-nitroaniline

      Eriksen, J. J., Sauer, Stephan P. A., Mikkelsen, Kurt Valentin, Christiansen, O., Jensen, H. J. A. & Kongsted, J., 2013, In: Molecular Physics. 111, 9-11, p. 1235-1248 14 p.

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

    55. Published

      Influence of nucleation precursors on the reaction kinetics of methanol with the OH radical

      Elm, J., Bilde, M. & Mikkelsen, Kurt Valentin, 2013, In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory. 117, 30, p. 6695-6701 7 p.

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

    56. Published

      Interaction of glycine with common atmospheric nucleation precursors

      Elm, J., Fard, M., Bilde, M. & Mikkelsen, Kurt Valentin, 2013, In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory. 117, 48, p. 12990-12997 8 p.

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

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