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 Department of Chemistry

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Kjeldsen, N. D., Funder, E. D. & Gothelf, K. V. (2014). Synthesis of homochiral tris-indanyl molecular rods. Organic & Biomolecular Chemistry, 12(22), 3679-3685. https://doi.org/10.1039/C4OB00011K

Jakobsen, S. & Jensen, F. (2014). Systematic Improvement of Potential-Derived Atomic Multipoles and Redundancy of the Electrostatic Parameter Space. Journal of Chemical Theory and Computation, 10(12), 5493-5504. https://doi.org/10.1021/ct500803r

Tan, Q., Zhang, C., Wang, N., Zhu, X., Sun, Q., Jacobsen, M. F., Gothelf, K. V., Besenbacher, F., Hu, A. & Xu, W. (2014). Tailoring on-surface supramolecular architectures based on adenine directed self-assembly. Chemical Communications, 50(3), 356-358. https://doi.org/10.1039/C3CC46149A

Behrens, M. A., Bergenholtz, J. & Pedersen, J. S. (2014). Temperature-Induced Attractive Interactions of PEO-Containing Block Copolymer Micelles. Langmuir, 30(21), 6021-6029. https://doi.org/10.1021/la500154s

Rosen, C. B., Kodal, A. L. B., Nielsen, J. S., Schaffert, D. H., Scavenius, C., Okholm, A. H., Voigt, N. V., Enghild, J. J., Kjems, J., Tørring, T. & Gothelf, K. V. (2014). Template-directed covalent conjugation of DNA to native antibodies, transferrin and other metal-binding proteins. Nature Chemistry, 6(9), 804-809. https://doi.org/10.1038/nchem.2003

Korablov, D., Besenbacher, F. & Jensen, T. R. (2014). Ternary compounds in the magnesium-titanium hydrogen storage system. International Journal of Hydrogen Energy, 39(18), 9700-9708. https://doi.org/10.1016/j.ijhydene.2014.03.141

Risør, M. W., Poulsen, E. T., Thomsen, L. R., Dyrlund, T. F., Nielsen, T. A., Nielsen, N. C., Sanggaard, K. W. & Enghild, J. J. (2014). The autolysis of human HtrA1 is governed by the redox state of its N-terminal domain. Biochemistry, 53(23), 3851-3857. https://doi.org/10.1021/bi401633w

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. ... Ågren, H. (2014). The Dalton quantum chemistry program system. Wiley Interdisciplinary Reviews: Computational Molecular Science, 4(3), 269–284. https://doi.org/10.1002/wcms.1172

Behrens, M. A., Lopez, M., Kjoniksen, A.-L., Zhu, K., Nystrom, B. & Pedersen, J. S. (2014). The effect of cationic and anionic blocks on temperature-induced micelle formation. Journal of Applied Crystallography, 47(1), 22-28. https://doi.org/10.1107/S1600576713030033

Lam, A. T., Faragó, E. P., Owen, M. C., Fiser, B., Jójárt, B., Jensen, S. K., Csizmadia, I. G. & Viskolcz, B. (2014). The effect of oxidative stress on the bursopentin peptide structure: a theoretical study. Physical Chemistry Chemical Physics, 16(20), 9602-9609. https://doi.org/10.1039/c3cp54799j

Hansen, A. M. K., Hong, J., Kristensen, K., Ylisirniö, A., Virtanen, A., Petäjä, T., Glasius, M. & Prisle, N. L. (2014). The hygroscopic properties of limonene-derived organosulfates and their mixtures with ammonium sulfate at sub- and supersaturated conditions. In M. Kulmala, M. Boy & J. Kontkanen (Eds.), Proceedings of Nordic Center of Excellence in 'Cryosphere-Atmosphere Interactions in a Changing Arctic Climate': Annual Meeting 2014 (pp. 35-38). Finnish Association for Aerosol Research. http://www.atm.helsinki.fi/FAAR/reportseries/rs-155.pdf

Andreasen, M., Skeby, K. K., Zhang, S., Nielsen, E. H., Klausen, L. H., Frahm, H., Christiansen, G., Skrydstrup, T., Dong, M., Schiøtt, B. & Otzen, D. (2014). The Importance of Being Capped: Terminal Capping of an Amyloidogenic Peptide Affects Fibrillation Propensity and Fibril Morphology. Biochemistry, 53(44), 6968-6980. https://doi.org/10.1021/bi500674u

Wang, X., Sø, L. U., Su, R., Wendt, S., Hald, P., Mamakhel, M. A. H., Yang, C., Huang, Y., Iversen, B. B. & Besenbacher, F. (2014). The influence of crystallite size and crystallinity of anatase nanoparticles on the photo-degradation of phenol. Journal of Catalysis, 310, 100-108. https://doi.org/10.1016/j.jcat.2013.04.022

Sharifi, S., Jensen, G. V., Pedersen, J. S., Marti, O. & Amirkhani, M. (2014). The mixture of poly(propylene-glycol)-block-poly(ethylene-glycol)-block-PPG with C₁₂E₅ microemulsion. Physics and Chemistry of Liquids, 52(1), 113-121. https://doi.org/10.1080/00319104.2013.806215

Garg, N. & Skibsted, J. (2014). Thermal activation of a pure montmorillonite clay and its reactivity in cementitious systems. The Journal of Physical Chemistry Part C, 118(21), 11464-11477. https://doi.org/10.1021/jp502529d

Jensen, T. R. & Roedern, E. (2014). Thermal Decomposition of Mn(BH₄)_2–M(BH₄)_x and Mn(BH₄)₂-MH_x Composites with M = Li, Na, Mg, and Ca. The Journal of Physical Chemistry Part C, 118(41), 23567-23574. https://doi.org/10.1021/jp507770g

Lorenzen, N., Nielsen, S. B., Buell, A. K., Kaspersen, J. D., Arosio, P., Vad, B. S., Paslawski, W., Christiansen, G., Valnickova Hansen, Z., Andreasen, M., Enghild, J. J., Pedersen, J. S., Dobson, C. M., Knowles, T. P. J. & Otzen, D. (2014). The role of stable α-synuclein oligomers in the molecular events underlying amyloid formation. Journal of the American Chemical Society, 136(10), 3859-3868. https://doi.org/10.1021/ja411577t

Behrens, M. A., Sendall, T. J., Pedersen, J. S., Kjeldgaard, M., Huntington, J. A. & Jensen, J. K. (2014). The Shapes of Z-α1-Antitrypsin Polymers in Solution Support the C-Terminal Domain-Swap Mechanism of Polymerization. Biophysical Journal, 107(8), 1905-1912. https://doi.org/10.1016/j.bpj.2014.08.030

Mauri, S., Weidner, T. & Arnolds, H. (2014). The structure of insulin at the air/water interface: monomers or dimers? Physical Chemistry Chemical Physics, 16(48), 26722-26724. https://doi.org/10.1039/c4cp04926h

Stern, S., Holmegaard, L., Filsinger, F., Rouzée, A., Rudenko, A., Johnsson, P., Martin, A. V., Barty, A., Bostedt, C., Bozek, J. D., Coffee, R. N., Epp, S., Erk, B., Foucar, L., Hartmann, R., Kimmel, N., Kühnel, K.-U., Maurer, J., Messerschmidt, M. ... Küpper, J. (2014). Toward atomic resolution diffractive imaging of isolated molecules with x-ray free-electron lasers. Faraday Discussions, 171, 393-418. https://doi.org/10.1039/C4FD00028E

Niu, L., Liu, L., Xu, M., Cramer, J., Gothelf, K. V., Dong, MD., Besenbacher, F., Zeng, Q., Yang, Y. & Wang, C. (2014). Transformation of beta-sheet structures of the amyloid peptide induced by molecular modulators. Chemical Communications, 50(64), 8923-8926. https://doi.org/10.1039/c4cc02748e

Zeng, G., Liu, L., Xia, D., Li, Q., Xin, Z., Wang, J., Besenbacher, F., Skrydstrup, T. & Dong, MD. (2014). Transition of chemically modified diphenylalanine peptide assemblies revealed by atomic force microscopy. R S C Advances, 4(15), 7516-7520. https://doi.org/10.1039/c3ra46718j

Jensen, A. C. S., Ibsen, C. J. S., Sutherland, D. S. & Birkedal, H. (2014). Transparent aggregates of nanocrystalline hydroxyapatite. Crystal Growth & Design, 14(12), 6343-6349. https://doi.org/10.1021/cg501080c

Li, Y., López-Delgado, F. J., Jørgensen, D. K. B., Nielsen, R. P., Jiang, H. & Jørgensen, K. A. (2014). Trienamine-mediated asymmetric [4+2]-cycloaddition of α,β-unsaturated ester surrogates applying 4-nitro-5-styrylisoxazoles. Chemical Communications, 50(99), 15689-91. https://doi.org/10.1039/c4cc08171d

Modvig, A., Andersen, T. L., Taaning, R. H., Lindhardt, A. T. & Skrydstrup, T. (2014). Two-chamber hydrogen generation and application: access to pressurized deuterium gas. Journal of Organic Chemistry, 79(12), 5861-8. https://doi.org/10.1021/jo500801t

Nguyen, Q., Christensen, M. K., Cozzi, F., Zare, A., Hansen, A. M. K., Kristensen, K., Tulinius, T. E., Madsen, H., Christensen, J. H., Brandt, J., Massling, A., Nøjgaard, J. K. & Glasius, M. (2014). Understanding the anthropogenic influence on formation of biogenic secondary organic aerosols in Denmark via analysis of organosulfates and related oxidation products. Atmospheric Chemistry and Physics, 14, 8961-8981. https://doi.org/10.5194/acp-14-8961-2014

Jensen, F. (2014). Unifying general and segmented contracted basis sets. Segmented polarization consistent basis sets. Journal of Chemical Theory and Computation, 10(3), 1074-1085. https://doi.org/10.1021/ct401026a

Jensen, S. K., Thøgersen, J. & Keiding, S. R. (2014). Vibrational relaxation of NO₃^-(aq). Chemical Physics, 442, 86-92. https://doi.org/10.1016/j.chemphys.2014.03.014

Nielsen, J. T. & Nielsen, N. C. (2014). VirtualSpectrum, a Tool for Simulating Peak List for Multiple-Dimensional NMR Spectra. Journal of Biomolecular N M R, 60(1), 51-66. https://doi.org/10.1007/s10858-014-9851-1

Mirbagheri, N., Wang, D., Peng, C., Wang, J., Huang, Q., Fan, C. & Ferapontova, E. (2014). Visible Light Driven Photoelectrochemical Water Oxidation by Zn- and Ti- doped Hematite Nanostructures. A C S Catalysis, 4(6), 2006-2015. https://doi.org/10.1021/cs500372v

Su, R., Forde, M., He, Q., Shen, Y., Wang, X., Dimitratos, N., Wendt, S., Huang, Y., Iversen, B. B., Kiely, C., Besenbacher, F. & Hutchings, G. (2014). Well-controlled metal co-catalysts synthesised by chemical vapour impregnation for photocatalytic hydrogen production and water purification. Dalton Transactions , 43(40), 14976-14982. https://doi.org/10.1039/C4DT01309C

Küpper, J., Stern, S., Holmegaard, L., Filsinger, F., Rouzée, A., Rudenko, A., Johnsson, P., V. Martin, A., Adolph, M., Aquila, A., Bajt, S., Barty, A., Bostedt, C., Bozek, J., Caleman, C., Coffee, R., Coppola, N., Delmas, T., Epp, S. ... N. Chapman, H. (2014). X-ray Diffraction from Isolated and Strongly Aligned Gas-Phase Molecules with a Free-Electron Laser. Physical Review Letters, 112, 083002,1-6. https://doi.org/10.1103/PhysRevLett.112.083002

Mortuza, G. B., Cavazza, T., Garcia-Mayoral, M. F., Hermida, D., Peset, I., Pedrero, J. G., Merino, N., Blanco, F. J., Lyngso, J., Bruix, M., Pedersen, J. S., Vernos, I. & Montoya, G. (2014). XTACC3-XMAP215 association reveals an asymmetric interaction promoting microtubule elongation. Nature Communications, 5, Article 5072. https://doi.org/10.1038/ncomms6072

Albrecht, L., Villegas, C., Jacobsen, C. B. & Jørgensen, K. A. (2013). 1,4-Naphthoquinones in H-Bond-Directed Trienamine-Mediated Strategies. Organic Letters, 15(12), 3010-3013. https://doi.org/10.1021/ol401204a

Godtliebsen, I. H. & Christiansen, O. (2013). A band Lanczos approach for calculation of vibrational coupled cluster response functions: simultaneous calculation of IR and Raman anharmonic spectra for the complex of pyridine and a silver cation. Physical Chemistry Chemical Physics, 15, 10035-10048. https://doi.org/10.1039/C3CP50283J

Korsager, S., Nielsen, D. U., Taaning, R. H. & Skrydstrup, T. (2013). Access to β-keto esters by palladium-catalyzed carbonylative coupling of aryl halides with monoester potassium malonates. Angewandte Chemie International Edition, 52(37), 9763-9766. https://doi.org/10.1002/anie.201304072

Olliges-Stadler, I., Rossell, M. D., Süess, M. J., Ludi, B., Bunk, O., Pedersen, J. S., Birkedal, H. & Niederberger, M. (2013). A comprehensive study of the crystallization mechanism involved in the nonaqueous formation of tungstite. Nanoscale, 5(18), 8517-8525. https://doi.org/10.1039/c3nr02020g

Nielsen, A. B., Jain, S. K., Ernst, M., Meier, B. H. & Nielsen, N. C. (2013). Adiabatic Rotor-Echo-Short-Pulse-Irradiation Mediated Cross-Polarization. Journal of Magnetic Resonance, 237, 147-151. https://doi.org/10.1016/j.jmr.2013.09.002

Liu, M., Fu, J., Hejesen, C., Yang, Y., Woodbury, N. W., Gothelf, K., Liu, Y. & Yan, H. (2013). A DNA tweezer-actuated enzyme nanoreactor. Nature Communications, 4, Article 2127. https://doi.org/10.1038/ncomms3127

Skibsted, J. (2013). Aluminum incorporated in the Calcium Silicate Hydrate (C-S-H) phase studied by solid-state NMR spectroscopy. In D. Stephan, H. V. Daake & G. Land (Eds.), Proceedings of the 1st International Conference on the Chemistry of Construction Materials, 7-9 October 2013, Berlin GDCh Division of Chemistry of Construction Chemicals.

Elm, J., Jørgensen, S., Bilde, M. & Mikkelsen, K. V. (2013). Ambient reaction kinetics of atmospheric oxygenated organics with the OH radical: A computational methodology study. Physical Chemistry Chemical Physics, 15(24), 9636-9645. https://doi.org/10.1039/c3cp50192b

Jiang, H., Albrecht, L. & Jørgensen, K. A. (2013). Aminocatalytic remote functionalization strategies. Chemical Science, 4(6), 2287-2300. https://doi.org/10.1039/c3sc50405k

Ahlburg, A., Lindhardt, A. T., Taaning, R. H., Modvig, A. E. & Skrydstrup, T. (2013). An air-tolerant approach to the carbonylative Suzuki-Miyaura coupling: applications in isotope labeling. Journal of Organic Chemistry, 78(20), 10310–10318. https://doi.org/10.1021/jo401696c

Jensen, F. (2013). Analysis of energy-optimized Gaussian basis sets for condensed phase density functional calculations. Theoretical Chemistry Accounts, 132(8), Article 1380. https://doi.org/10.1007/s00214-013-1380-6

Leardini, F., Paolone, A., Palumbo, O., Cantelli, R., Nielsen, T. K. & Jensen, T. R. (2013). Anelastic spectroscopy investigation of nano-confined alanates. Journal of Alloys and Compounds, 580(SUPPL1), S70-S72. https://doi.org/10.1016/j.jallcom.2013.03.226

Bosio, G., Breitenbach, T., Parisi, J., Reigosa, M., Blaikie, F. H., Pedersen, B. W., Silva, E. F. F. D., Martire, D. & Ogilby, P. R. (2013). Antioxidant beta-Carotene does not Quench Singlet Oxygen in Mammalian Cells. Journal of the American Chemical Society, 135(1), 272-279. https://doi.org/10.1021/ja308930a

Høyvik, I.-M., Kristensen, K., Kjærgaard, T. & Jørgensen, P. (2013). A perspective on the localizability of Hartree-Fock orbitals. Theoretical Chemistry Accounts, 133(1), Article UNSP 1417 . https://doi.org/10.1007/s00214-013-1417-x

Elm, J., Bilde, M. & Mikkelsen, K. V. (2013). Assessment of binding energies of atmospherically relevant clusters. Physical Chemistry Chemical Physics, 15(39), 16442-16445. https://doi.org/10.1039/c3cp52616j

Dell'Amico, L., Companyo, X., Naicker, T., Bräuer, T. M. & Jørgensen, K. A. (2013). Asymmetric organocatalytic benzylation of α,β-unsaturated aldehydes with toluenes. European Journal of Organic Chemistry, 2013(24), 5262-5265. https://doi.org/10.1002/ejoc.201300899

Jiang, H., Cruz, D. C., Li, Y., Lauridsen, V. H. & Jørgensen, K. A. (2013). Asymmetric Organocatalytic Thio-Diels–Alder Reactions via Trienamine Catalysis. Journal of the American Chemical Society, 135(13), 5200–5207. https://doi.org/10.1021/ja4007244

Displaying results 2801 to 2850 out of 5242

Revised 24.09.2025

Department of Chemistry