A benchmark study of aromaticity indexes for benzene, pyridine and the diazines - I. Ground state aromaticity von Pedersen, Jacob, Mikkelsen, Kurt V

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Elucidating the Mystery of DNA-Templating Effects on a Silver Nanocluster von Liasi, Zacharias, Hillers-Bendtsen, Andreas Erbs, Jensen, Lasse, Mikkelsen, Kurt V.

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On the accurate calculation of polarizabilities and second hyperpolarizabilities of polyacetylene oligomer chains using the CAM-B3LYP density functional von Limacher, Peter A., Mikkelsen, Kurt V., Lüthi, Hans Peter

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Hybrid DFT small-cluster model of CO oxidation on CeO2/(110) von Bjerregaard, Joachim D., Mikkelsen, Kurt V., Johnson, Matthew S.

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Single-molecule detection of dihydroazulene photo-thermal reaction using break junction technique von Huang, Cancan, Jevric, Martyn, Borges, Anders, Olsen, Stine T., Hamill, Joseph M., Zheng, Jue-Ting, Yang, Yang, Rudnev, Alexander, Baghernejad, Masoud, Broekmann, Peter, Petersen, Anne Ugleholdt, Wandlowski, Thomas, Mikkelsen, Kurt V., Solomon, Gemma C., Brøndsted Nielsen, Mogens, Hong, Wenjing

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Synthesis, characterization and computational evaluation of bicyclooctadienes towards molecular solar thermal energy storage von Quant, Maria, Hillers-Bendtsen, Andreas Erbs, Ghasemi, Shima, Erdelyi, Mate, Wang, Zhihang, Muhammad, Lidiya M, Kann, Nina, Mikkelsen, Kurt V, Moth-Poulsen, Kasper

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Towards Solar Energy Storage in the Photochromic Dihydroazulene-Vinylheptafulvene System von Cacciarini, Martina, Skov, Anders B., Jevric, Martyn, Hansen, Anne S., Elm, Jonas, Kjaergaard, Henrik G., Mikkelsen, Kurt V., Brøndsted Nielsen, Mogens

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Synthesis of radiaannulene oligomers to model the elusive carbon allotrope 6,6,12-graphyne von Kilde, Martin Drøhse, Murray, Adrian H., Andersen, Cecilie Lindholm, Storm, Freja Eilsø, Schmidt, Katrin, Kadziola, Anders, Mikkelsen, Kurt V., Hampel, Frank, Hammerich, Ole, Tykwinski, Rik R., Nielsen, Mogens Brøndsted

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Aromaticity-Controlled Energy Storage Capacity of the Dihydroazulene-Vinylheptafulvene Photochromic System von Skov, Anders B., Broman, Søren Lindbæk, Gertsen, Anders S., Elm, Jonas, Jevric, Martyn, Cacciarini, Martina, Kadziola, Anders, Mikkelsen, Kurt V., Nielsen, Mogens Brøndsted

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Glyoxal and Methylglyoxal Setschenow Salting Constants in Sulfate, Nitrate, and Chloride Solutions: Measurements and Gibbs Energies von Waxman, Eleanor M, Elm, Jonas, Kurtén, Theo, Mikkelsen, Kurt V, Ziemann, Paul J, Volkamer, Rainer

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Complexation of Fullerenes by Subphthalocyanine Dimers von Gotfredsen, Henrik, Holmstrøm, Thomas, Muñoz, Alberto Viñas, Storm, Freja Eilsø, Tortzen, Christian G, Kadziola, Anders, Mikkelsen, Kurt V, Hammerich, Ole, Nielsen, Mogens Brøndsted

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Density functional self-consistent quantum mechanics/molecular mechanics theory for linear and nonlinear molecular properties: Applications to solvated water and formaldehyde von Nielsen, Christian B., Christiansen, Ove, Mikkelsen, Kurt V., Kongsted, Jacob

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The quest for determining one-electron redox potentials of azulene-1-carbonitriles by calculation von Ree, Nicolai, Andersen, Cecilie Lindholm, Kilde, Martin Drøhse, Hammerich, Ole, Nielsen, Mogens Brøndsted, Mikkelsen, Kurt V

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Solar Thermal Energy Storage in a Photochromic Macrocycle von Vlasceanu, Alexandru, Broman, Søren L., Hansen, Anne S., Skov, Anders B., Cacciarini, Martina, Kadziola, Anders, Kjaergaard, Henrik G., Mikkelsen, Kurt V., Nielsen, Mogens Brøndsted

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Assessment of binding energies of atmospherically relevant clusters von ELM, Jonas, BILDE, Merete, MIKKELSEN, Kurt V

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Assessment of Density Functional Theory in Predicting Structures and Free Energies of Reaction of Atmospheric Prenucleation Clusters von Elm, Jonas, Bilde, Merete, Mikkelsen, Kurt V

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Computational Study of the Effect of Glyoxal–Sulfate Clustering on the Henry’s Law Coefficient of Glyoxal von Kurtén, Theo, Elm, Jonas, Prisle, Nønne L, Mikkelsen, Kurt V, Kampf, Christopher J, Waxman, Eleanor M, Volkamer, Rainer

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Tracking molecular resonance forms of donor–acceptor push–pull molecules by single-molecule conductance experiments von Lissau, Henriette, Frisenda, Riccardo, Olsen, Stine T., Jevric, Martyn, Parker, Christian R., Kadziola, Anders, Hansen, Thorsten, van der Zant, Herre S. J., Brøndsted Nielsen, Mogens, Mikkelsen, Kurt V.

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A Benchmark Study of Aromaticity Indexes for Benzene, Pyridine, and the Diazines - II. Excited State Aromaticity von Pedersen, Jacob, Mikkelsen, Kurt V.

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A Combined Quantum Mechanics and Molecular Mechanics Approach for Simulating the Optical Properties of DNA-Stabilized Silver Nanoclusters von Liasi, Zacharias, Jensen, Lasse, Mikkelsen, Kurt V.

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