Department of Chemistry

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 Department of Chemistry Research Publications

Publications

The Department of Chemistry is one of the most productive departments at Aarhus University. A considerable number of articles are published every year. 

Publications from the Department of Chemistry

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Colombo, V., Lo Presti, L. & Gavezzotti, A. (2017). Two-component organic crystals without hydrogen bonding: structure and intermolecular interactions in bimolecular stacking. CrystEngComm, 19(17), 2413-2423. https://doi.org/10.1039/c7ce00311k
Zhao, K., Qui, P., Song, Q., Blichfeld, A. B., Eikeland, E. Z., Ren, D., Ge, B., Iversen, B. B., Shi, X. & Chen, L. (2017). Ultrahigh thermoelectric performance in Cu2−ySe0.5S0.5 liquid-like materials. Materials Today Physics, 1, 14-23. https://doi.org/10.1016/j.mtphys.2017.04.003
Yoshimura, Y., Oktaviani, N. A., Yonezawa, K., Kamikubo, H. & Mulder, F. A. A. (2017). Unambiguous Determination of Protein Arginine Ionization States in Solution by NMR Spectroscopy. Angewandte Chemie International Edition, 56(1), 239–242. https://doi.org/10.1002/anie.201609605
Frølich, S., Weaver, J. C., Dean, M. N. & Birkedal, H. (2017). Uncovering Nature's Design Strategies through Parametric Modeling, Multi-Material 3D Printing, and Mechanical Testing. Advanced Engineering Materials, 19(6), Article e201600848. https://doi.org/10.1002/adem.201600848
Villadsen, N. L., Jacobsen, K. M., Tørring, T. & Poulsen, T. (2017). Unikke naturstoffer dræber resistente cancerceller. Dansk Kemi, 98(3), 10-13. http://ipaper.ipapercms.dk/TechMedia/DanskKemi/2017/3/
Datzer, C., Zumbuelte, A., Braun, J., Foerster, T., Schmidt, A. B., Mi, J., Iversen, B. B., Hofmann, P., Minar, J., Ebert, H., Krueger, P., Rohlfing, M. & Donath, M. (2017). Unraveling the spin structure of unoccupied states in Bi2Se3. Physical Review B, 95(11), Article 115401. https://doi.org/10.1103/PhysRevB.95.115401
Britz, D. H., Strutwolf, J. & Østerby, O. (2017). Use of the Saul’yev method for the digital simulation of chronoamperometry and linear sweep voltammetry at the ultramicrodisk electrode. Electrochimica Acta, 258, 17-23. https://doi.org/10.1016/j.electacta.2017.10.089
Jensen, F. (2017). Using valence bond methods to estimate intramolecular basis set superposition errors. Journal of Chemical Physics, 146(18), Article 184109. https://doi.org/10.1063/1.4983229
Nielsen, D. B., Wahlqvist, B., Nielsen, D. U., Daasbjerg, K. & Skrydstrup, T. (2017). Utilizing Glycerol as an Ex Situ CO-source in Pd-Catalyzed Alkoxycarbonylation of Styrenes. ACS Catalysis, 7(9), 6089–6093. https://doi.org/10.1021/acscatal.7b02179
Hathwar, V. R., Stingaciu, M., Richter, B., Overgaard, J. & Iversen, B. B. (2017). Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes. Acta Crystallographica Section B: Structural Science, 73(Pt 2), 304-312. https://doi.org/10.1107/S2052520616019235
Rasmussen, B. B., Nguyen, Q. T., Kristensen, K., Nielsen, L. S. & Bilde, M. (2017). What controls volatility of sea spray aerosol? Results from laboratory studies using artificial and real seawater samples. Journal of Aerosol Science, 107, 134-141. https://doi.org/10.1016/j.jaerosci.2017.02.002
Marqvorsen, M. H. S., Pedersen, M. J., Rasmussen, M. R., Kristensen, S. K., Dahl-Lassen, R. & Jensen, H. H. (2017). Why Is Direct Glycosylation with N-Acetylglucosamine Donors Such a Poor Reaction and What Can Be Done about It? Journal of Organic Chemistry, 82(1), 143-156. https://doi.org/10.1021/acs.joc.6b02305
Álvarez-Martos, I., Shahdost-fard, F. & Ferapontova, E. (2017). Wiring of heme enzymes by methylene-blue labeled dendrimers. Electrochimica Acta, 249, 206-215. https://doi.org/10.1016/j.electacta.2017.07.161
Coriani, S., Cazzoli, G., Lattanzi, V., Gauss, J., Codella, C., Asensio Ramos, A., Cernicharo, J. & Puzzarini, C. (2017). Zeeman effect in sulfur monoxide: a tool to probe magnetic fields in star forming regions. Astronomy & Astrophysics (A&A), 605, Article A20. https://doi.org/10.1051/0004-6361/201730858
Utke, R., Thiangviriya, S., Javadian, P., Jensen, T. R., Milanese, C., Klassen, T. & Dornheim, M. (2016). 2LiBH(4)-MgH2 nanoconfined into carbon aerogel scaffold impregnated with ZrCl4 for reversible hydrogen storage. Materials Chemistry and Physics, 169, 136-141. https://doi.org/10.1016/j.matchemphys.2015.11.040
Christodoulou, M. S., Zarate, M., Ricci, F., Damia, G., Pieraccini, S., Dapiaggi, F., Sironi, M., Lo Presti, L., García-Argáez, A. N., Dalla Via, L. & Passarella, D. (2016). 4-(1,2-diarylbut-1-en-1-yl)isobutyranilide derivatives as inhibitors of topoisomerase II. European Journal of Medicinal Chemistry, 118, 79-89. https://doi.org/10.1016/j.ejmech.2016.03.090
Xue, M., Kitahara, R., Yoshimura, Y. & Mulder, F. A. A. (2016). Aberrant increase of NMR signal in hydrogen exchange experiments. Observation and explanation. Biochemical and Biophysical Research Communications, 478(3), 1185-1188. https://doi.org/10.1016/j.bbrc.2016.08.092
Eich, A., Rollfing, N., Arnold, F., Sanders, C., Ewen, P. R., Bianchi, M., Dendzik, M., Michiardi, M., Mi, J.-L., Bremholm, M., Wegner, D., Hofmann, P. & Khajetoorians, A. A. (2016). Absence of superconductivity in ultrathin layers of FeSe synthesized on a topological insulator. Physical Review B, 94(12), 125437. Article 125437. https://doi.org/10.1103/PhysRevB.94.125437
Lai, F., Du, J. J., Williams, P. A., Váradi, L., Baker, D., Groundwater, P. W., Overgaard, J., Platts, J. A. & Hibbs, D. E. (2016). A comparison of the experimental and theoretical charge density distributions in two polymorphic modifications of piroxicam. Physical Chemistry Chemical Physics, 18(41), 28802-28818. https://doi.org/10.1039/c6cp02690g
Yu, W., Hjerrild, P., Overgaard, J. & Poulsen, T. (2016). A Concise Route to the Strongylophorines. Angewandte Chemie, 55(29), 8294-8298. https://doi.org/10.1002/anie.201602476
Malinauskaite, L., Said, S., Sahin, C., Grouleff, J., Shahsavar, A., Bjerregaard, H., Noer, P. R., Severinsen, K., Boesen, T., Schiøtt, B., Sinning, S. & Nissen, P. (2016). A Conserved Leucine Occupies the Empty Substrate Site of LeuT in the Na+-free Return State. Nature Communications, 7(1), Article 11673. https://doi.org/10.1038/ncomms11673, https://doi.org/10.1038/ncomms11673
Aznauryan, M., Søndergaard, S., Noer, S. L., Schiøtt, B. & Birkedal, V. (2016). A direct view of the complex multi-pathway folding of telomeric G-quadruplexes. Nucleic Acids Research, 44(22), 11024-11032. https://doi.org/10.1093/nar/gkw1010
Smith, A. A. A., Zuwala, K., Pilgram, O., Johansen, K. S. E., Tolstrup, M., Dagnæs-Hansen, F. & Zelikin, A. N. (2016). Albumin–Polymer–Drug Conjugates: Long Circulating, High Payload Drug Delivery Vehicles. ACS Macro Letters, 5(10), 1089-1094. https://doi.org/10.1021/acsmacrolett.6b00544
Riehl, L., Seyboldt, A., Ströbele, M., Enseling, D., Jüstel, T., Westberg, M., Ogilby, P. R. & Meyer, H. .-J. (2016). A ligand substituted tungsten iodide cluster: luminescence vs. singlet oxygen production. Dalton Transactions, 45(39), 15500-15506. https://doi.org/10.1039/C6DT02471H
Johansen, R. R., Bay, K. G., Christensen, L., Thøgersen, J., Dimitrovski, D., Madsen, L. B. & Stapelfeldt, H. (2016). Alignment-dependent strong-field ionization yields of carbonyl sulfide molecules induced by mid-infrared laser pulses. Journal of Physics B: Atomic, Molecular and Optical Physics, 49(20), Article 205601. https://doi.org/10.1088/0953-4075/49/20/205601
Ansari, S. M., Coletta, A., Skeby, K. K., Sørensen, J., Schiøtt, B. & Palmer, D. S. (2016). Allosteric-Activation Mechanism of Bovine Chymosin Revealed by Bias-Exchange Metadynamics and Molecular Dynamics Simulations. Journal of Physical Chemistry B, 120(40), 10453-10462. https://doi.org/10.1021/acs.jpcb.6b07491
Stalder, R., Puniredd, S. R., Hansen, M. R., Koldemir, U., Grand, C., Zajaczkowski, W., Müllen, K., Pisula, W. & Reynolds, J. R. (2016). Ambipolar Charge Transport in Isoindigo-Based Donor-Acceptor Polymers. Chemistry of Materials, 28(5), 1286-1297. https://doi.org/10.1021/acs.chemmater.5b03968
Langley, G. W., Brinkø, A., Münzel, M., Walport, L. J., Schofield, C. J. & Hopkinson, R. J. (2016). Analysis of JmjC Demethylase-Catalyzed Demethylation Using Geometrically-Constrained Lysine Analogues. A C S Chemical Biology, 11(3), 755-762. https://doi.org/10.1021/acschembio.5b00738
Du, J. J., Váradi, L., Williams, P. A., Groundwater, P. W., Overgaard, J., Platts, J. A. & Hibbs, D. E. (2016). An analysis of the experimental and theoretical charge density distributions of the piroxicam–saccharin co-crystal and its constituents. RSC Advances, 6(85), 81578-81590. https://doi.org/10.1039/C6RA10411H
Madsen, S. R., Moggach, S. A., Overgaard, J. & Brummerstedt Iversen, B. (2016). Anisotropic compressibility of the coordination polymer emim[Mn(btc)]. Acta Crystallographica Section B: Structural Science, 72(3), 389-394. https://doi.org/10.1107/S2052520616005515
Shen, Y., Birgisson, S. & Iversen, B. B. (2016). A P2-NaxCo0.7Mn0.3O2 (x ≈ 1.0) cathode material for Na-ion batteries with superior rate and cycle capability. Journal of Materials Chemistry A, 4(31), 12281-12288. https://doi.org/10.1039/c6ta03630a
Laursen, S., Jensen, M. T., Lindhardt, A. T., Jacobsen, M. F. & Skrydstrup, T. (2016). A Palladium-Catalyzed Double Carbonylation Approach to Isatins from 2-Iodoanilines. European Journal of Organic Chemistry, 2016(10), 1881-1885. https://doi.org/10.1002/ejoc.201600143
Ibsen, C. J. S., Chernyshov, D. & Birkedal, H. (2016). Apatite Formation from Amorphous Calcium Phosphate and Mixed Amorphous Calcium Phosphate/Amorphous Calcium Carbonate. Chemistry - A European Journal, 22(35), 12347-12357. https://doi.org/10.1002/chem.201601280
Vinding, M. S., Kessler, T. O. & Vosegaard, T. (2016). A Simple Low-Cost Single-Crystal NMR Setup. Journal of Magnetic Resonance, 269, 120-127. https://doi.org/10.1016/j.jmr.2016.06.004
Jensen, N. D., Bjerring, M. & Nielsen, U. G. (2016). A solid state NMR study of layered double hydroxides intercalated with para-amino salicylate, a tuberculosis drug. Solid State Nuclear Magnetic Resonance, 78, 9-15. https://doi.org/10.1016/j.ssnmr.2016.06.001
Eriksen, J. J., Matthews, D. A., Jørgensen, P. & Gauss, J. (2016). Assessment of the accuracy of coupled cluster perturbation theory for open-shell systems. II. Quadruples expansions. The Journal of Chemical Physics, 144(19), Article 194103. https://doi.org/10.1063/1.4948781
Eriksen, J. J., Matthews, D. A., Jørgensen, P. & Gauss, J. (2016). Assessment of the accuracy of coupled cluster perturbation theory for open-shell systems. I. Triples expansions. The Journal of Chemical Physics, 144(19), Article 194102. https://doi.org/10.1063/1.4948780
Halskov, K. S., Næsborg, L., Tur Espinosa, F. & Jørgensen, K. A. (2016). Asymmetric [3 + 2] Cycloaddition of Vinylcyclopropanes and α,β-Unsaturated Aldehydes by Synergistic Palladium and Organocatalysis. Organic Letters, 18(9), 2220-2223. https://doi.org/10.1021/acs.orglett.6b00852
Lauridsen, V. H., Ibsen, L., Blom, J. & Jørgensen, K. A. (2016). Asymmetric Brønsted Base Catalyzed and Directed [3+2] Cycloaddition of 2-Acyl Cycloheptatrienes with Azomethine Ylides. Chemistry - A European Journal, 22(10), 3259-3263. https://doi.org/10.1002/chem.201600255
Dematteis, E. M., Roedern, E., Pinatel, E. R., Corno, M., Jensen, T. R. & Baricco, M. (2016). A thermodynamic investigation of the LiBH4-NaBH4 system. RSC Advances, 6(65), 60101-60108. https://doi.org/10.1039/c6ra09301a
Skov, H., Bossi, R., Massling, A., Sørensen, L. L., Nøjgaard, J. K., Christensen, J. H., Hansen, K. M., Jensen, B. & Glasius, M. (2016). Atmospheric Pollution Research on Greenland. In Implications and Consequences of Anthropogenic Pollution in Polar Environments (pp. 21-39). Springer.
Filsø, M., Eikeland, E., Zhang, J., Madsen, S. R. & Iversen, B. B. (2016). Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study. Dalton Transactions, 45(9), 3798-3805. https://doi.org/10.1039/c5dt04532k
Straaso, L. A., Saleem, Q. & Hansen, M. R. (2016). A Toolbox of Solid-State NMR Experiments for the Characterization of Soft Organic Nanomaterials. Annual Reports on N M R Spectroscopy, 88, 307-383. https://doi.org/10.1016/bs.arnmr.2015.12.001
Kristensen, K., Eriksen, J. J., Matthews, D. A., Olsen, J. & Jørgensen, P. (2016). A view on coupled cluster perturbation theory using a bivariational Lagrangian formulation. The Journal of Chemical Physics, 144(6), Article 064103. https://doi.org/10.1063/1.4941605
Grube, E., Olesen, C. H., Ravnsbæk, D. B. & Jensen, T. R. (2016). Barium borohydride chlorides: synthesis, crystal structures and thermal properties. Dalton Transactions, 45(19), 8291-8299. https://doi.org/10.1039/c6dt00772d
Donslund, B., Nielsen, R. P., Mønsted, S. M. N. & Jørgensen, K. A. (2016). Benzofulvenes in Trienamine Catalysis: Stereoselective Spiroindene Synthesis. Angewandte Chemie, 55(37), 11124-11128. https://doi.org/10.1002/anie.201605079
Feinberg, H., Rambaruth, N. D. S., Jégouzo, S. A. F., Jacobsen, K. M., Djurhuus, R., Poulsen, T., Weis, W. I., Taylor, M. E. & Drickamer, K. (2016). Binding sites for acylated trehalose analogs of glycolipid ligands on an extended carbohydrate recognition domain of the macrophage receptor mincle. Journal of Biological Chemistry, 291(40), 21222-21233. https://doi.org/10.1074/jbc.M116.749515
Fapyane, D., Poulsen, C. H. & Ferapontova, E. E. (2016). Bioelectrocatalytic oxidation of glucose by hexose oxidase directly wired to graphite. Electrochemistry Communications, 65, 1-4. https://doi.org/10.1016/j.elecom.2016.01.012
Nørby, P., Ry Vogel Jørgensen, M., Johnsen, S. & Iversen, B. B. (2016). Bismuth Iodide Hybrid Organic-Inorganic Crystal Structures and Utilization in Formation of Textured BiI3 Film. European Journal of Inorganic Chemistry, 9(9), 1389-1394. https://doi.org/10.1002/ejic.201501418
Gavezzotti, A. & Presti, L. L. (2016). Building blocks of crystal engineering: A large-database study of the intermolecular approach between C-H donor groups and O, N, Cl, or F acceptors in organic crystals. Crystal Growth & Design, 16(5), 2952-2962. https://doi.org/10.1021/acs.cgd.6b00305

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Revised 08.05.2026
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Department of Chemistry