Kurt V. Mikkelsen
Affiliations: | Department of Chemistry | University of Copenhagen, København, Denmark |
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Publications
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Cardenuto MH, Cezar HM, Mikkelsen KV, et al. (2021) A QM/MM study of the conformation stability and electronic structure of the photochromic switches derivatives of DHA/VHF in acetonitrile solution. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 251: 119434 |
Jacovella U, Carrascosa E, Buntine JT, et al. (2020) Photo- and Collision-Induced Isomerization of a Charge-Tagged Norbornadiene--Quadricyclane System. The Journal of Physical Chemistry Letters |
Olsen JMH, Reine S, Vahtras O, et al. (2020) Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems. The Journal of Chemical Physics. 152: 214115 |
Rasmussen FR, Kubečka J, Besel V, et al. (2020) Hydration of Atmospheric Molecular Clusters III: Procedure for Efficient Free Energy Surface Exploration of Large Hydrated Clusters. The Journal of Physical Chemistry. A |
Pedersen PD, Mikkelsen KV, Johnson MS. (2020) The unexpected effect of aqueous ion pairs on the forbidden n → π* transition in nitrate. Physical Chemistry Chemical Physics : Pccp |
Pedersen PD, Rasmussen MH, Mikkelsen KV, et al. (2019) The riddle of the forbidden UV absorption of aqueous nitrate: the oscillator strength of the n → π* transition in NO including second order vibronic coupling. Physical Chemistry Chemical Physics : Pccp |
Kilde MD, Murray AH, Andersen CL, et al. (2019) Synthesis of radiaannulene oligomers to model the elusive carbon allotrope 6,6,12-graphyne. Nature Communications. 10: 3714 |
Hillers-Bendtsen AE, Mikkelsen KV. (2019) The influence of gold nanoparticles on the two photon absorption of photochromic molecular systems. Physical Chemistry Chemical Physics : Pccp |
Kilde MD, Mansø M, Ree N, et al. (2019) Norbornadiene-dihydroazulene conjugates. Organic & Biomolecular Chemistry |
Storm FE, Rasmussen MH, Mikkelsen KV, et al. (2019) Computational construction of the electronic Hamiltonian for photoinduced electron transfer and Redfield propagation. Physical Chemistry Chemical Physics : Pccp |