Kaare Mikkelsen - Publications

Affiliations: 
2011-2013 Aarhus University, Aarhus, Denmark 

33 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2015 Lissau H, Frisenda R, Olsen ST, Jevric M, Parker CR, Kadziola A, Hansen T, van der Zant HS, Brøndsted Nielsen M, Mikkelsen KV. Tracking molecular resonance forms of donor-acceptor push-pull molecules by single-molecule conductance experiments. Nature Communications. 6: 10233. PMID 26667583 DOI: 10.1038/Ncomms10233  0.01
2015 Waxman EM, Elm J, Kurtén T, Mikkelsen KV, Ziemann PJ, Volkamer R. Glyoxal and Methylglyoxal Setschenow Salting Constants in Sulfate, Nitrate, and Chloride Solutions: Measurements and Gibbs Energies. Environmental Science & Technology. 49: 11500-8. PMID 26335375 DOI: 10.1021/Acs.Est.5B02782  0.01
2015 Elm J, Stockett M, Houmøller J, Åxman Petersen M, Mikkelsen KV, Brøndsted Nielsen M, Brøndsted Nielsen S. Gas-phase spectroscopy of a vinylheptafulvene chromophore. European Journal of Mass Spectrometry (Chichester, England). 21: 569-77. PMID 26307736 DOI: 10.1255/Ejms.1320  0.01
2015 Cacciarini M, Skov AB, Jevric M, Hansen AS, Elm J, Kjaergaard HG, Mikkelsen KV, Brøndsted Nielsen M. Towards solar energy storage in the photochromic dihydroazulene-vinylheptafulvene system. Chemistry (Weinheim An Der Bergstrasse, Germany). 21: 7454-61. PMID 25847100 DOI: 10.1002/Chem.201500100  0.01
2015 Elm J, Norman P, Mikkelsen KV. Rayleigh light scattering properties of atmospheric molecular clusters consisting of sulfuric acid and bases. Physical Chemistry Chemical Physics : Pccp. 17: 15701-9. PMID 25811805 DOI: 10.1039/C5Cp01012H  0.01
2015 Petersen AU, Broman SL, Olsen ST, Hansen AS, Du L, Kadziola A, Hansen T, Kjaergaard HG, Mikkelsen KV, Nielsen MB. Controlling two-step multimode switching of dihydroazulene photoswitches. Chemistry (Weinheim An Der Bergstrasse, Germany). 21: 3968-77. PMID 25588718 DOI: 10.1002/Chem.201405457  0.01
2015 Olsen ST, Elm J, Storm FE, Gejl AN, Hansen AS, Hansen MH, Nikolajsen JR, Nielsen MB, Kjaergaard HG, Mikkelsen KV. Computational methodology study of the optical and thermochemical properties of a molecular photoswitch. The Journal of Physical Chemistry. A. 119: 896-904. PMID 25569127 DOI: 10.1021/Jp510678U  0.01
2015 Kurtén T, Elm J, Prisle NL, Mikkelsen KV, Kampf CJ, Waxman EM, Volkamer R. Computational study of the effect of glyoxal-sulfate clustering on the Henry's law coefficient of glyoxal. The Journal of Physical Chemistry. A. 119: 4509-14. PMID 25408201 DOI: 10.1021/Jp510304C  0.01
2014 Rinkevicius Z, Li X, Sandberg JA, Mikkelsen KV, Ågren H. A Hybrid Density Functional Theory/Molecular Mechanics Approach for Linear Response Properties in Heterogeneous Environments. Journal of Chemical Theory and Computation. 10: 989-1003. PMID 26580178 DOI: 10.1021/Ct400897S  0.01
2014 Aidas K, Angeli C, Bak KL, Bakken V, Bast R, Boman L, Christiansen O, Cimiraglia R, Coriani S, Dahle P, Dalskov EK, Ekström U, Enevoldsen T, Eriksen JJ, Ettenhuber P, ... ... Mikkelsen KV, et al. The Dalton quantum chemistry program system. Wiley Interdisciplinary Reviews. Computational Molecular Science. 4: 269-284. PMID 25309629 DOI: 10.1002/Wcms.1172  0.01
2014 Olsen ST, Arcisauskaite V, Hansen T, Kongsted J, Mikkelsen KV. Computational assignment of redox states to Coulomb blockade diamonds. Physical Chemistry Chemical Physics : Pccp. 16: 17473-8. PMID 25020007 DOI: 10.1039/C4Cp02055C  0.01
2014 Mikkelsen K, Imparato A, Torcini A. Sisyphus effect in pulse-coupled excitatory neural networks with spike-timing-dependent plasticity. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 89: 062701. PMID 25019808 DOI: 10.1103/Physreve.89.062701  0.6
2014 Elm J, Kurtén T, Bilde M, Mikkelsen KV. Molecular interaction of pinic acid with sulfuric acid: exploring the thermodynamic landscape of cluster growth. The Journal of Physical Chemistry. A. 118: 7892-900. PMID 24988284 DOI: 10.1021/Jp503736S  0.01
2014 Elm J, Norman P, Bilde M, Mikkelsen KV. Computational study of the Rayleigh light scattering properties of atmospheric pre-nucleation clusters. Physical Chemistry Chemical Physics : Pccp. 16: 10883-90. PMID 24763512 DOI: 10.1039/C4Cp01206B  0.01
2014 Sjöqvist J, Linares M, Mikkelsen KV, Norman P. QM/MM-MD simulations of conjugated polyelectrolytes: a study of luminescent conjugated oligothiophenes for use as biophysical probes. The Journal of Physical Chemistry. A. 118: 3419-28. PMID 24738472 DOI: 10.1021/Jp5009835  0.01
2013 Mikkelsen K, Imparato A, Torcini A. Emergence of slow collective oscillations in neural networks with spike-timing dependent plasticity. Physical Review Letters. 110: 208101. PMID 25167453 DOI: 10.1103/Physrevlett.110.208101  0.6
2013 Elm J, Fard M, Bilde M, Mikkelsen KV. Interaction of glycine with common atmospheric nucleation precursors. The Journal of Physical Chemistry. A. 117: 12990-7. PMID 24191651 DOI: 10.1021/Jp408962C  0.01
2013 Elm J, Bilde M, Mikkelsen KV. Assessment of binding energies of atmospherically relevant clusters. Physical Chemistry Chemical Physics : Pccp. 15: 16442-5. PMID 23963511 DOI: 10.1039/C3Cp52616J  0.01
2013 Elm J, Bilde M, Mikkelsen KV. Influence of nucleation precursors on the reaction kinetics of methanol with the OH radical. The Journal of Physical Chemistry. A. 117: 6695-701. PMID 23837617 DOI: 10.1021/Jp4051269  0.01
2013 Elm J, Jørgensen S, Bilde M, Mikkelsen KV. Ambient reaction kinetics of atmospheric oxygenated organics with the OH radical: a computational methodology study. Physical Chemistry Chemical Physics : Pccp. 15: 9636-45. PMID 23674114 DOI: 10.1039/C3Cp50192B  0.01
2012 Elm J, Bilde M, Mikkelsen KV. Assessment of Density Functional Theory in Predicting Structures and Free Energies of Reaction of Atmospheric Prenucleation Clusters. Journal of Chemical Theory and Computation. 8: 2071-7. PMID 26593839 DOI: 10.1021/Ct300192P  0.01
2012 Elm J, Lykkebo J, Sørensen TJ, Laursen BW, Mikkelsen KV. Obtaining enhanced circular dichroism in [4]heterohelicenium analogues. The Journal of Physical Chemistry. A. 116: 8744-52. PMID 22857739 DOI: 10.1021/Jp304997B  0.01
2012 Eriksen JJ, Sauer SP, Mikkelsen KV, Jensen HJ, Kongsted J. On the importance of excited state dynamic response electron correlation in polarizable embedding methods. Journal of Computational Chemistry. 33: 2012-22. PMID 22685085 DOI: 10.1002/Jcc.23032  0.01
2011 Westerlund F, Elm J, Lykkebo J, Carlsson N, Thyrhaug E, Akerman B, Sørensen TJ, Mikkelsen KV, Laursen BW. Direct probing of ion pair formation using a symmetric triangulenium dye. Photochemical & Photobiological Sciences : Official Journal of the European Photochemistry Association and the European Society For Photobiology. 10: 1963-73. PMID 22048401 DOI: 10.1039/C1Pp05253E  0.01
2011 Elm J, Lykkebo J, Sørensen TJ, Laursen BW, Mikkelsen KV. Racemization mechanisms and electronic circular dichroism of [4]heterohelicenium dyes: a theoretical study. The Journal of Physical Chemistry. A. 115: 12025-33. PMID 21919514 DOI: 10.1021/Jp206885H  0.01
2011 Eriksen JJ, Olsen JM, Aidas K, Ågren H, Mikkelsen KV, Kongsted J. Computational protocols for prediction of solute NMR relative chemical shifts. a case study of L-tryptophan in aqueous solution. Journal of Computational Chemistry. 32: 2853-64. PMID 21732391 DOI: 10.1002/Jcc.21867  0.01
2011 Arul Murugan N, Kongsted J, Rinkevicius Z, Aidas K, Mikkelsen KV, Ågren H. Hybrid density functional theory/molecular mechanics calculations of two-photon absorption of dimethylamino nitro stilbene in solution. Physical Chemistry Chemical Physics : Pccp. 13: 12506-16. PMID 21660320 DOI: 10.1039/C1Cp20611G  0.01
2010 Olsen JM, Aidas K, Mikkelsen KV, Kongsted J. Solvatochromic Shifts in Uracil: A Combined MD-QM/MM Study. Journal of Chemical Theory and Computation. 6: 249-56. PMID 26614335 DOI: 10.1021/Ct900502S  0.01
2010 Kuhlman TS, Kongsted J, Mikkelsen KV, Møller KB, Sølling TI. Interpretation of the ultrafast photoinduced processes in pentacene thin films. Journal of the American Chemical Society. 132: 3431-9. PMID 20175536 DOI: 10.1021/Ja909166S  0.01
2010 Aidas K, Mikkelsen KV, Kongsted J. On the existence of the H3 tautomer of adenine in aqueous solution. Rationalizations based on hybrid quantum mechanics/molecular mechanics predictions. Physical Chemistry Chemical Physics : Pccp. 12: 761-8. PMID 20066363 DOI: 10.1039/B915604F  0.01
2009 Limacher PA, Mikkelsen KV, Lüthi HP. On the accurate calculation of polarizabilities and second hyperpolarizabilities of polyacetylene oligomer chains using the CAM-B3LYP density functional. The Journal of Chemical Physics. 130: 194114. PMID 19466828 DOI: 10.1063/1.3139023  0.01
2009 Møgelhøj A, Aidas K, Mikkelsen KV, Sauer SP, Kongsted J. Prediction of spin-spin coupling constants in solution based on combined density functional theory/molecular mechanics. The Journal of Chemical Physics. 130: 134508. PMID 19355752 DOI: 10.1063/1.3098255  0.01
2008 Aidas K, Møgelhoj A, Nilsson EJ, Johnson MS, Mikkelsen KV, Christiansen O, Söderhjelm P, Kongsted J. On the performance of quantum chemical methods to predict solvatochromic effects: the case of acrolein in aqueous solution. The Journal of Chemical Physics. 128: 194503. PMID 18500876 DOI: 10.1063/1.2918537  0.01
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