Kurt Valentin Mikkelsen
Professor
- 2014
- 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
- 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
- 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
- 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
- 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
- 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
- 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, , 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
ID: 7494
Most downloads
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2179
downloads
Direct probing of ion pair formation using a symmetric triangulenium dye
Research output: Contribution to journal › Journal article › Research › peer-review
Published -
293
downloads
Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems
Research output: Contribution to journal › Journal article › Research › peer-review
Published -
265
downloads
Single-molecule detection of dihydroazulene photo-thermal reaction using break junction technique
Research output: Contribution to journal › Journal article › Research › peer-review
Published