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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Viennois, R., Charar, S., Ravot, D., Haen, P., Mauger, A., Bentien, A., Paschen, S. & Steglich, F. (2005). Spin fluctuations in the skutterudite compound LaFe4Sb12. European Physical Journal B. Condensed Matter and Complex Systems, 46(2), 257-267. https://doi.org/10.1140/epjb/e2005-00250-0
Hjollund, N. H., Bonde, J. P., Ernst, E., Lindenberg, S., Andersen, A. N., Olsen, J. & Hjøllund, N. H. I. (2005). Spontaneous abortion in IVF couples - a role of male welding exposure. Human Reproduction, 20(7), 1793-1797. https://doi.org/10.1093/humrep/deh680
Nielsen, C. K., Andersen, T. V. & Keiding, S. R. (2005). Stability analysis of an all-fiber coupled cavity Fabry-Perot additive pulse mode-locked laser. I E E E Journal of Quantum Electronics, 41(2), 198-204.
Nielsen, C. K., Andersen, T. V. & Keiding, S. R. (2005). Stability Analysis of an All-fiber Coupled Cavity Fabry-Perot Additive Pulse Mode-Locked laser. I E E E Journal of Quantum Electronics, 41(2), 198-204.
Bürgi, H.-B., Hostettler, M., Birkedal, H. & Schwarzenbach, D. (2005). Stacking disorder: the hexagonal polymorph of tris(bicyclo[2.1.1]hexeno)benzene and related examples. Zeitschrift für Kristallographie - Crystalline Materials, 220, 1066-1075.
Pedersen, C. M. & Bols, M. (2005). Stereochemical substituent effects: Investigation of the cyano, amide and carboxylate group. Tetrahedron, 61, 115-122.
Iversen, B. B. (2005). Structural analysis of thermoelectric materials. In D. M. Rowe (Ed.), CRC Handbook of Thermoelectric Materials (pp. 21.1-21.19)
Kamihira, M., Vosegaard, T., Mason, A. J., Straus, S. K., Nielsen, N. C. & Watts, A. (2005). Structural and orientational constraints of bacteriorhodopsin in purple membranes determined by oriented-sample solid-state NMR spectroscopy. J. Struct. Biol., 149, 7-16.
Sommer, C., Pedersen, J. S. & Garamus, V. M. (2005). Structure and Interactions of Block Copolymer Micelles of Brij-700 studied by combining Small-Angle X-ray and Neutron Scattering. Langmuir, 21, 2137-2149.
Berndt, I., Pedersen, J. S. & Richtering, W. (2005). Structure of Multiresponsive 'Intelligent' Core-Shell Microgels. Journal of the American Chemical Society, 127, 9372-9373.
Zhou, B., Giavani, T., Bildsøe, H., Skibsted, J. & Jakobsen, H. J. (2005). Structure refinement of CsNO3(II) by coupling of 14N MAS NMR experiments with WIEN2k DFT calculations. Chemical Physics Letters, 402, 133-137.
Snyder, J., Skovsen, E., Lambert, J. D. C. & Ogilby, P. R. (2005). Subcellular, time-resolved studies of singlet oxygen in single cells. Journal of the American Chemical Society, 127, 14558-14559.
Marinescu, L., Mølbach, M., Rousseau, C. & Bols, M. (2005). Supramolecular Oxidation of Anilines Using Hydrogen Peroxide as Stoichiometric Oxidant. Journal of the American Chemical Society, 127, 17578-17579.
Hald, P. & Iversen, B. B. (2005). Syntese af nanokrystallinske metaloxider i superkritisk væske. Tidsskrift for Dansk Keramisk Selskab, 7, 4-7.
Nielsen, C. B., Johnsen, M., Arnbjerg, J., Pittelkow, M., McIlroy, S. P., Ogilby, P. R. & Jørgensen, M. (2005). Synthesis and Characterization of Water-Soluble Phenylene-Vinylene-Based Singlet Oxygen Sensitizers for Two-Photon Excitation. J. Org. Chem., 70, 7065-7079.
Jensen, C. M., Lindsay, K. D., Andreasen, P. & Skrydstrup, T. (2005). Synthesis of a hydroxyethylene isostere of the tripeptide Arg-Gly-Leu via a convergent acyl-like radical addition strategy. J. Org. Chem., 70, 7512-7519.
Jensen, C. M., Lindsay, K. B., Andreasen, P. & Skrydstrup, T. (2005). Synthesis of a Hydroxyethylene Isostere of the Tripeptide Arg-Gly-Leu via a Convergent Acyl-like Radical Addition Strategy. J. Org. Chem., 70, 7512-7519.
Pedersen, J. M., Bowman, W. R., Elsegood, M. R. J., J. Fletcher, A. & Lovell, P. J. (2005). Synthesis of Ellipticine - A Radical Cascade Protocol to Aryl- and Heteroaryl Annulated[b]carbazoles. J. Org. Chem., 70, 10615-10618.
Poulsen, R. D., Bentien, A., Chevallier, M.-A. & Iversen, B. B. (2005). Synthesis, Physical Properties, Multitemperature Crystal Structure, and 20 K Synchrotron X-ray Charge Density of a Magnetic Metal Organic Framework Structure,Mn3(C8O4H4)3(C5H11ON)2. Journal of the American Ceramic Society, 127, 9156-9166.
Pedersen, J. S. & Sommer, C. (2005). Temperature dependence of the virial coefficients and the chi parameter in semi-dilute solutions of PEG. Progress in Colloid and Polymer Science, 130, 1-9.
Coriani, S., Marchesan, D., Gauss, J., Hättig, C., Helgaker, T. & Jørgensen, P. (2005). The accuracy of ab initio molecular geometries for systems containing second-row atoms. Journal of Chemical Physics, 123, 184107-1-12.
Petersen, S. V., Olsen, D. A., Kenney, J. M., Valnickova, Z., Thøgersen, I., Enghild, J. J., Oury, T. D. & Crapo, J. D. (2005). The high concentration of Arg213-->Gly extracellular superoxide dismutase (EC-SOD) in plasma is caused by a reduction of both heparin and collagen affinities. Biochemical Journal, 385, 427-432.
Hegelund, F., Wugt Larsen, R., Nicolaisen, F. M. & Palmer, M. H. (2005). The high-resolution infrared spectrum of isoxazole vapor between 800 and 1700 cm-1. J. Mol. Spectrosc., 229, 244-256.
Kongsted, J., Osted, A., Mikkelsen, K. V. & Christiansen, O. (2005). The (Hyper)Polarizabilities of Liquid Water Modelled Using Coupled Cluster/Molecular Mechanics Response Theory Methods. In G. Maroulis (Ed.), Atoms, Molecules and Clusters in electric fields. Theoretical approaches to the calculation of electric polarizability
Snyder, J., Gao, Z., Lambert, J. D. C. & Ogilby, P. R. (2005). The imaging of singlet oxygen in single cells. In D. Kessel (Ed.), Optical Methods for Tumor Treatment and Detection: Mechanisms and Techniques in Photodynamic Therapy XIV (pp. 17-25). The International Society for Optical Engineering.
Birkedal, H., Broomell, C., Khan, R. K., Slack, N., Lichtenegger, H. C., Zok, F., Stucky, G. D. & Waite, J. H. (2005). The Jaws of Nereis: Microstructure and Mechanical Properties. Mater. Res. Soc. Symp. Proc., 874, 2-2.
Viskolcz, B. & Jensen, S. K. (2005). Theoretical studies of carbon dioxide catalysis of peroxynitrite isomerizations. J. Mol. Struc. - Theochem., 731, 57-60.
Rajaraman, G., Christensen, K. E., Larsen, F. K., Timco, G. A. & Winpenny, R. E. P. (2005). Theoretical studies on di- and tetra-nuclear Ni pivalate complexes. Chemical Communications, 3053-3055.
Osted, A., Kongsted, J. & Christiansen, O. (2005). Theoretical study of the electronic gas-phase spectrum of glycine, alanine, and related amines and carboxylic acids. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 109, 1430-1440.
Bentien, A., Madsen, G. K. H., Johnsen, S. & Iversen, B. B. (2005). Thermoelectric properties of hole doped FeSb2. In ICT Proceedings (pp. 186-188)
Pawlowski, F., Jørgensen, P. & Hättig, C. (2005). The second hyperpolarizability of the N2 molecule calculated using the approximate coupled cluster triples model CC3. Chemical Physics Letters, 413, 272-279.
Jacobsen, M. F., Moses, J. E., Adlington, R. M. & Baldwin, J. E. (2005). The Total Synthesis of Spectinabilin and Its Biomimetic Conversion to SNF4435C and SNF4435D. Org. Lett., 7(12), 641-644.
Thøgersen, L., Olsen, J., Köhn, A., Jørgensen, P., Salek, P. & Helgaker, T. (2005). The trust-region self-consistent field method in Kohn-Sham density-functional theory. Journal of Chemical Physics, 123, 074103-1-17.
Sanggaard, K. W., Karring, H., Valnickova, Z., Thøgersen, I. B. & Enghild, J. J. (2005). The TSG-6 and IαI Interaction Promotes a Transesterification Cleaving the Protein-Glycosaminoglycan-Protein (PGP) Cross-link. Journal of Biological Chemistry, 280, 11936-11942. https://doi.org/10.1074/jbc.M409016200
Bentien, A., Pacheco, V., Paschen, S., Grin, Y. & Steglich, F. (2005). Transport properties of composition tuned alpha- and beta-Eu8Ga(16-x)Ge(30+x). Physical Review B, 71, 165206. https://doi.org/10.1103/PhysRevB.71.165206
Overgaard, J., Svendsen, H., Chevallier, M.-A. S. & Iversen, B. B. (2005). Triaquatetrakis(dimethylacetamide-kO)-neodymium(III) hexacyanoferrate(III) trihydrate. Acta Crystallographica Section E: Structure Reports Online, 61(2), 268-270. https://doi.org/10.1107/S1600536805000577
Sørensen, M. B., Hazell, R. G., Bentien, A., Bond, A. D. & Jensen, T. R. (2005). Two new cobaltzinc orthophosphate monohydrates: hydrothermal synthesis, crystal structures and thermal investigation. Dalton Transactions, (3), 598-606. https://doi.org/10.1039/b412473a
Frederiksen, P. K., McIlroy, S. P., Nielsen, C. B., Nikolajsen, L. N., Skovsen, E., Jørgensen, M., Mikkelsen, K. V. & Ogilby, P. R. (2005). Two-Photon Photosensitized Production of Singlet Oxygen in Water. Journal of the American Chemical Society, 127(1), 255-269.
McIlroy, S. P., Clo, E., Nikolajsen, L., Frederiksen, P. K., Nielsen, C. B., Mikkelsen, K. V., Gothelf, K. V. & Ogilby, P. R. (2005). Two-Photon Photosensitized Production of Singlet Oxygen: Sensitizers with Phenylene-Ethynylene-Based Chromophores. J. Org. Chem., 70, 1134-1146.
Høyer, B. & Gulamhusein, A. (2005). Udvaskning og immobilisering af arsen i jord - laboratoriestudie. In ATV Vintermøde om jord- og grundvandsforurening (pp. 467-478). ATV.
Hoyer, B. & Jensen, N. (2005). Use of sodium dodecyl sulfate for suppression of electrode fouling in the voltammetric detection of biologically relevant compounds. Electroanalysis, 17(22), 2037-2042.
Høyer, B. & Jensen, N. (2005). Use of sodium dodecyl sulfate for suppression of electrode fouling in the voltammetric detection of biologically relevant compounds. Electroanalysis, 17(22), 2037-2042.
Lund, H., Svith, H., Pedersen, S. U. & Daasbjerg, K. (2005). Versatile electrochemically based preparation of unusual Grignard reagents containing electrophilic substituents. Electrochimica Acta, 51(4), 655-664.
Howard, D. L., Jørgensen, P. & Kjaergaard, H. G. (2005). Weak Intramolecular Interactions in Ethylene Glycol Identified by Vapor Phase OH-Stretching Overtone Spectroscopy. Journal of the American Chemical Society, 127, 17096-17103.
Coriani, C., Helgaker, T., Jørgensen, P. & Klopper, W. (2004). A closed-shell coupled-cluster treatment of the Breit-Pauli first-order relativistic energy correction. Journal of Chemical Physics, 121(14), 6591-6598.
Thøgersen, L. & Olsen, J. (2004). A coupled cluster and full configuration interaction study of CN and CN-. Chemical Physics Letters, 393, 36-43.
Thøgersen, L. & Olsen, J. (2004). A coupled cluster and full configuration interaction study of CN and CN-. Chemical Physics Letters, 393, 36-43.
Kongsted, J., Hansen, A. E., Pedersen, T. B., Osted, A., Mikkelsen, K. V. & Christiansen, O. (2004). A coupled cluster study of the oriented circular dichroism of the n -pi* electronic transition in cyclopropanone and natural optical active related structures. Chemical Physics Letters, 391, 259-266.
Palmqvist, A. E. C., Iversen, B. B., Zanghellini, E., Behm, M. & Stucky, G. D. (2004). A Crystalline Microporous Narrow-Bandgap Semiconductor. Angewandte Chemie International Edition, 43, 699-704.
Shapiro, S., Bader, A. & Jensen, S. K. (2004). Activation energies for the reorientation of the hydroxy group in symmetric dihalogenated phenols. J. Mol. Struc. - Theochem., 711, 1-5.

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Revised 08.05.2026
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Department of Chemistry