Department of Chemistry

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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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Otzen, D., Blans, K., Wang, H., Gilbert, G. E. & Rasmussen, J. T. (2012). Lactadherin binds to phosphatidylserine-containing vesicles in a two-step mechanism sensitive to vesicle size and composition. BBA General Subjects, 1818(4), 1019-1027. https://doi.org/10.1016/j.bbamem.2011.08.032
Merrison, J. P., Gunnlaugsson, H. P., Holstein-Rathlou, C., Jensen, S. K., Mason, J., Nørnberg, P., Patel, P., Portyankina, G. & Rasmussen, K. R. (2012). Last Results from the European Mars Simulation Wind Tunnel Facility. EPSC Abstracts, 6. http://oro.open.ac.uk/31767/
Jensen, K. M. Ø., Bozin, E., Malliakas, C., Stone, M., Lumsden, M., Kanatzidis, M., Shapiro, S. & Billinge, S. (2012). Lattice dynamics reveals a local symmetry breaking in the emergent dipole phase of PbTe. Physical Review B-Condensed Matter, 86(8), 085313-1 til 085313-7 . https://doi.org/10.1103/PhysRevB.86.085313
Gothelf, K. V. (2012). LEGO-like DNA Structures. Science, 338(6111), 1159-1160. https://doi.org/10.1126/science.1229960
Ley, M. B., Bomholdt Ravnsbæk, D., Filinchuk, Y., Lee, Y.-S., Janot, R., Cho, Y. W., Skibsted, J. & Jensen, T. R. (2012). LiCe(BH4)3Cl, a New Lithium-Ion Conductor and Hydrogen Storage Material with Isolated Tetranuclear Anionic Clusters. Chemistry of Materials, 24(9), 1654-1663. https://doi.org/10.1021/cm300792t
Sun, Y., Christensen, M., Johnsen, S., Nong, N. V., Ma, Y., Sillassen, M. B., Zhang, E., Palmqvist, A. E. C., Bøttiger, J. & Iversen, B. B. (2012). Low-Cost High-Performance Zinc Antimonide Thin Films for Thermoelectric Applications. Advanced Materials, 24(13), 1693-1696. https://doi.org/10.1002/adma.201104947
Smith, A. A. A., Hussmann, T., Elich, J., Alves, M.-H., Postma, A. & Zelikin, A. N. (2012). Macromolecular design of poly(vinyl alcohol) by RAFT polymerization. Polymer Chemistry, 3(1), 85-88. https://doi.org/10.1039/c1py00429h
Shimoni, O., Postma, A., Yan, Y., Scott, A. M., Heath, J. K., Nice, E. C., Zelikin, A. N. & Caruso, F. (2012). Macromolecule Functionalization of Disulfide-Bonded Polymer Hydrogel Capsules and Cancer Cell Targeting. A C S Nano, 6(2), 1463-1472. https://doi.org/10.1021/nn204319b
Nielsen, J. H., Stapelfeldt, H., Küpper, J., Friedrich, B., Omiste, J. J. & Gonzaléz-Férez, R. (2012). Making the Best of Mixed-Field Orientation of Polar Molecules: A Recipe for Achieving Adiabatic Dynamics in an Electrostatic Field Combined with Laser Pulses. Physical Review Letters, 108(19), 193001-1 til 193001-5. https://doi.org/10.1103/PhysRevLett.108.193001
Calcutta, A., Jessen, C. M., Behrens, M. A., Oliveira, C. L. P., Renart, M. L., González-Ros, J. M., Otzen, D., Pedersen, J. S., Malmendal, A. & Nielsen, N. C. (2012). Mapping of unfolding states of integral helical membrane proteins by GPS-NMR and scattering techniques: TFE-induced unfolding of KcsA in DDM surfactant. Biochimica et Biophysica Acta - Biomembranes, 1818(9), 2290-301. https://doi.org/10.1016/j.bbamem.2012.04.005
Ghodke, S., Nielsen, S. B., Christiansen, G., Hjuler, H. A., Flink, J., Otzen, D. & Nielsen, S. B. (2012). Mapping out the multistage fibrillation of glucagon. FEBS journal, 279(5), 752-765. https://doi.org/10.1111/j.1742-4658.2011.08465.x
Bindzus, N. & Iversen, B. B. (2012). Maximum-entropy-method charge densities based on structure-factor extraction with the commonly used Rietveld refinement programs GSAS, FullProf and Jana2006. Acta Crystallographica Section A: Foundations of Crystallography, 68(6), 750-762. https://doi.org/10.1107/S0108767312037269
Borup, K. A., Toberer, E. S., Zoltan, L. D., Nakatsukasa, G., Errico, M., Fleurial, J.-P., Iversen, B. B. & Snyder, G. J. (2012). Measurement of the electrical resistivity and Hall coefficient at high temperatures. Review of Scientific Instruments, 83(12), 123902-1 - 123902-7. https://doi.org/10.1063/1.4770124
Bomholdt Ravnsbæk, D. & Jensen, T. R. (2012). Mechanism for reversible hydrogen storage in LiBH4-Al. Journal of Applied Physics, 111, 112621 1-9. https://doi.org/10.1063/1.4726244
Bertelsen, K., Dorosz, J., Hansen, S. K., Nielsen, N. C. & Vosegaard, T. (2012). Mechanisms of Peptide-Induced Pore Formation in Lipid Bilayers Investigated by Oriented 31P Solid-State NMR Spectroscopy. PLoS One, 7(10). https://doi.org/10.1371/journal.pone.0047745
Li, C., Luo, Y., Guo, X., Mi, J., Sø, L. U., Hald, P., Meng, Q. & Iversen, B. B. (2012). Mesoporous TiO2 aggregate photoanode with high specific surface area and strong light scattering for dye-sensitized solar cells. Journal of Solid State Chemistry, 196, 504-510. https://doi.org/10.1016/j.jssc.2012.07.014
Nielsen, T. K. & Jensen, T. R. (2012). MgH2-Nb2O5 investigated by in situ synchrotron X-ray diffraction. International Journal of Hydrogen Energy, 37(18), 13409-13416. https://doi.org/10.1016/j.ijhydene.2012.06.082
Hosseinkhani, B., Søbjerg, L. S., Rotaru, A.-E., Emtiazi, G., Skrydstrup, T. & Meyer, R. L. (2012). Microbially supported synthesis of catalytically active bimetallic Pd-Au nanoparticles. Biotechnology and Bioengineering (Print), 109(1), 45-52. https://doi.org/10.1002/bit.23293
Gøgsig, T., Kleimark, J., Lill, S. O. N., Korsager, S., Lindhardt, A. T., Norrby, P.-O. & Skrydstrup, T. (2012). Mild and Efficient Nickel-Catalyzed Heck Reactions with Electron-Rich Olefins. Journal of the American Chemical Society, 134(1), 443-452. https://doi.org/10.1021/ja2084509
Britz, D., Østerby, O. & Strutwolf, J. (2012). Minimum grid digital simulation of chronoamperometry at a disk electrode. Electrochimica Acta, 78, 365-376.
Kraft, J. F., Vestergaard, M., Schiøtt, B. & Thøgersen, L. (2012). Modeling the Self-assembly and Stability of DHPC Micelles using Atomic Resolution and Coarse Grained MD Simulations. Journal of Chemical Theory and Computation, 8(5), 1556–1569. https://doi.org/10.1021/ct200921u
Brandt Hedegaard, G., Christensen, J. H., Geels, C., Gross, A., Hansen, K. M., May, W., Zare, A. & Brandt, J. (2012). Modelling the Impacts of Climate Change on Tropospheric Ozone over three Centuries. Atmospheric and Climate Science, 2(4), 546-561. https://doi.org/10.4236/acs.2012.24050
Andreasen, M., Nielsen, S. B., Mittag, T., Bjerring, M., Nielsen, J. T., Zhang, S., Nielsen, E. H., Jeppesen, M., Christiansen, G., Besenbacher, F., Dong, M., Nielsen, N. C., Skrydstrup, T. & Otzen, D. E. (2012). Modulation of fibrillation of hIAPP core fragments by chemical modification of the peptide backbone. Biochimica et Biophysica Acta - Proteins and Proteomics, 1824(2), 274-85. https://doi.org/10.1016/j.bbapap.2011.10.014
Maurer, J., Dimitrovski, D., Christensen, L., Madsen, L. B. & Stapelfeldt, H. (2012). Molecular-Frame 3D Photoelectron Momentum Distributions by Tomographic Reconstruction. Physical Review Letters, 109(12), 123001. https://doi.org/10.1103/PhysRevLett.109.123001
Kristensen, K., Jørgensen, P., Jansik, B., Kjærgaard, T. & Reine, S. (2012). Molecular gradient for second-order Møller-Plesset perturbation theory using the divide-expand-consolidate (DEC) scheme. Journal of Chemical Physics, 137(114102). https://doi.org/10.1063/1.4752432
Kristensen, M. V., Ahrendt, P., Lindballe, T. B., Nielsen, O. H. A., Kylling, A. P., Karstoft, H., Imparato, A., Rigau, L. H., Stadler, B., Stapelfeldt, H. & Keiding, S. R. (2012). Motion analysis of optically trapped particles and cells using 2D Fourier analysis. Optics Express, 20(3), 1953-1962. https://doi.org/10.1364/OE.20.001953
Kristensen, K., Høyvik, I.-M., Jansik, B., Jørgensen, P., Kjærgaard, T., Reine, S. & Jakowski, J. (2012). MP2 energy and density for large molecular systems with internal error control using the Divide-Expand-Consolidate scheme. Physical Chemistry Chemical Physics, 14(45), 15706-15714. https://doi.org/10.1039/c2cp41958k
Mulder, F. A. A. & Scheek, R. M. (2012). Multidimensional NMR spectroscopy. In G. C. K. Roberts (Ed.), Encyclopedia of Biophysics Springer.
Ke, Y., Voigt, N. V., Shih, W. M. & Gothelf, K. V. (2012). Multilayer DNA Origami Packed on Hexagonal and Hybrid Lattices. Journal of the American Chemical Society, 134(3), 1770-1774. https://doi.org/10.1021/ja209719k
Nielsen, T. K., Javadian, P., Polanski, M., Besenbacher, F., Bystrzycki, J. & Jensen, T. R. (2012). Nanoconfined NaAlH4: Determination of distinct prolific effects from Pore Size, Crystallite Size, and Surface Interactions. Journal of Physical Chemistry Part C: Nanomaterials and Interfaces, 116(39), 21046-21051. https://doi.org/10.1021/jp3049982
Christensen, M. (2012). Neutron Scattering Investigations of Thermoelectric Materials. In D. M. Rowe (Ed.), Materials, Preparation, and Characterization in Thermoelectrics CRC Press. https://doi.org/10.1201/b11891-26
Baranowska-Ła, A., Fernández, B., Rizzo, A. & Jansik, B. (2012). New basis sets for the evaluation of the CO–Ne van der Waals complex interaction induced electric dipole moment and polarizability surfaces. Molecular Physics, 110(19-20), 2503-2512. https://doi.org/10.1080/00268976.2012.702933
Arnbjerg, L. & Jensen, T. R. (2012). New compounds in the potassium-aluminium-hydrogen system observed during release and uptake of hydrogen. International Journal of Hydrogen Energy, 37(1), 345-356. https://doi.org/10.1016/j.ijhydene.2011.09.108
Ley, M. B., Boulineau, S., Janot, R., Filinchuk, Y. & Jensen, T. R. (2012). New Li Ion Conductors and Solid State Hydrogen Storage Materials: LiM(BH4)3Cl, M = La, Gd. The Journal of Physical Chemistry Part C, 116(40), 21267-21276. https://doi.org/10.1021/jp307762g
Gibaud, T., Mahmoudi, N., Oberdisse, J., Lindner, P., Pedersen, J. S., Oliveira, C. L. P., Stradner, A. & Schurtenberger, P. (2012). New routes to food gels and glasses. Faraday Discussions, 158(1), 267-284. https://doi.org/10.1039/c2fd20048a
Otzen, D. (2012). N for AsN - O for StrOcture? A strand-loop-strand motif for prokaryotic O-glycosylation. Molecular Oral Microbiology. https://doi.org/10.1111/j.1365-2958.2012.07972.x
Eagles, M., Sun, B., Richter, B., Jensen, T. R., Filinchuk, Y. & Conradi, M. S. (2012). NMR Investigation of Nanoporous γ-Mg(BH4)2 and Its Thermally Induced Phase Changes. The Journal of Physical Chemistry Part C, 116(24), 13033-13037. https://doi.org/10.1021/jp303076t
Soloninin, A. V., Babanova, O. A., Skripov, A. V., Hagemann, H., Richter, B., Jensen, T. R. & Filinchuk, Y. (2012). NMR Study of Reorientational Motion in Alkaline-Earth Borohydrides: β and γ Phases of Mg(BH4)2 and α and β Phases of Ca(BH4)2. Journal of Physical Chemistry Part C: Nanomaterials and Interfaces, 116(7), 4913-4920. https://doi.org/10.1021/jp210509g
Saleh, G., Gatti, C. & Lo Presti, L. (2012). Non-covalent interaction via the reduced density gradient: Independent atom model vs experimental multipolar electron densities. Computational and Theoretical Chemistry, 998, 148-163. https://doi.org/10.1016/j.comptc.2012.07.014
Rotaru, A.-E., Jiang, W., Finster, K., Skrydstrup, T. & Meyer, R. L. (2012). Non-enzymatic palladium recovery on microbial and synthetic surfaces. Biotechnology and Bioengineering (Print), 109(8), 1889-1897. https://doi.org/10.1002/bit.24500
Skripov, A., Soloninin, A., Rude, L. H., Jensen, T. R. & Filinchuk, Y. (2012). Nuclear Magnetic Resonance Studies of Reorientational Motion and Li Diffusion in LiBH4–LiI Solid Solutions. Journal of Physical Chemistry Part C: Nanomaterials and Interfaces, 116(50), 26177–26184. https://doi.org/10.1021/jp3080892
Nøjgaard, J. K., Nguyen, Q., Glasius, M. & Sørensen, L. L. (2012). Nucleation and Aitken mode atmospheric particles in relation to O3 and NOX at semirural background in Denmark. Atmospheric Environment, 49, 275-283. http://dx.doi.org/10.1016/j.atmosenv.2011.11.040
Nøjgaard, J. K., Nguyen, Q. T., Glasius, M. & Sørensen, L. L. (2012). Nucleation and Aitken mode atmospheric particles in relation to O3 and NOX at semirural background in Denmark. Atmospheric Environment, 49, 275-283. https://doi.org/10.1016/j.atmosenv.2011.11.040
Raja, R. & Poulsen, T. (2012). Om unge forskeres karriereveje. Universitetsavisen, 1. http://universitetsavisen.dk/debat/om-unge-forskeres-karriereveje
Jørgensen, M. R. V., Svendsen, H., Schmøkel, M. S., Overgaard, J. & Iversen, B. B. (2012). On the significance of Bragg reflections. Acta Crystallographica Section A: Foundations of Crystallography, 68(2), 301-303. https://doi.org/10.1107/S0108767312003066
Ransborg, L. K., Albrecht, L. K., Weise, C. F., Bak, J. R. & Jørgensen, K. A. (2012). Optically Active Thiophenes via an Organocatalytic One-Pot Methodology. Organic Letters, 14(3), 724-727. https://doi.org/10.1021/ol203237r
Laustsen, C., Bowen, S., Vinding, M. S., Nielsen, N. C. & Ardenkjær-Larsen, J. H. (2012). Optimal Control Singlet State Storage of hyperpolarized compounds. In Optimal Control Singlet State Storage of hyperpolarized compounds
Høyvik, I.-M., Jansik, B. & Jørgensen, P. (2012). Orbital localization using fourth central moment minimization. Journal of Chemical Physics, 137(22). https://doi.org/10.1063/1.4769866
Linderberg, J. (2012). Orbital Models and Electronic Structure Theory. Structure and Bonding, 143, 39-52.
Allred, J. M., Jia, S., Bremholm, M., Chan, B. C. & Cava, R. J. (2012). Ordered CoSn-type ternary phases in Co3Sn3-xGex. Journal of Alloys and Compounds, 539, 137-143. https://doi.org/10.1016/j.jallcom.2012.04.045

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Department of Chemistry