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Department of Chemistry

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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Jensen, T. R., Hazell, R. G., Christensen, A. N. & Hanson, J. C. (2002). Hydrothermal Synthesis of Lithium Zinc Phosphates: Structural Investigation of Twinned alpha-Li4Zn(PO4)2 and a High Temperature Polymorph beta-Li4Zn(PO4)2. Journal of Solid State Chemistry, 166, 341-351.

Taasti, K. I., Christensen, A. N., Norby, P., Hanson, J. C., Lebech, B., Jakobsen, H. J. & Skibsted, J. (2002). Hydrothermal synthesis, single-crystal structure analysis, and solid-state NMR characterization of Zn2(OH)0.14(3)F0.86(3)(PO4). Journal of Solid State Chemistry, 164, 42-50.

Skovsen, E., Machholm, M., Ejdrup, T., Thøgersen, J. & Stapelfeldt, H. (2002). Imaging and control of interfering wavepackets in a dissociating molecule. Physical Review Letters, 89.

Hald, K., Jørgensen, P., Christiansen, O. & Koch, H. (2002). Implementation of electronic ground states and singlet and triplet excitation energies in coupled cluster theory with approximate triples corrections. Journal of Chemical Physics, 116, 5963-5970.

Poulsen, T. D., Ogilby, P. R. & Mikkelsen, K. V. (2002). Linear Response Properties for Solvated Molecules Described by a Combined Multiconfigurational Self-Consistent Field/Molecular Mechanics Model. Journal of Chemical Physics, 116, 3730-3738.

Bentien, A., Iversen, B. B., Bryan, J. D., Stucky, G. D., Palmqvist, A. E. C., Schultz, A. J. & Henning, R. W. (2002). Maximum entropy method analysis of thermal motion and disorder in thermoelectric clathrate Ba8Ga16Si30. Oyo Buturi, 91, 5694-5699.

Cannavacciuolo, L., Pedersen, J. S. & Schurtenberger, P. (2002). Monte Carlo simulation study of concentration effects and scattering functions for polyelectrolyte wormlike micelles. Langmuir, 18, 2922-2932.

Overgaard, J., Rentschler, E., Timco, G. A., Gerbeleu, N. V., Arion, V., Bousseksou, A., Tuchagues, J. P. & Larsen, F. K. (2002). Multi-temperature X-ray diffraction, Mössbauer spectroscopy and magnetic susceptibility studies of a solvated mixed-valence trinuclear iron formate, [Fe3O(HCO2)6(NC5H4CH3)3].1.3. Dalton Transactions , 2981-2986.

Stebbins, J. F., Du, L.-S., Kroeker, S., Neuhoff, P., Rice, D., Frye, J. & Jakobsen, H. J. (2002). New Opportunities for High-Resolution Solid-State NMR Spectroscopy of Oxide Materials at 21.1- and 18.8-Tesla Fields. Solid State Nuclear Magnetic Resonance, 21, 105-115.

Bryan, J. D., Blake, N. P., Metiu, H., Stucky, G. D., Iversen, B. B., Poulsen, R. D. & Bentien, A. (2002). Nonstoichiometry and chemical purity effects in thermoelectric Ba8Ga16Ge30 clathrate. Oyo Buturi, 92, 7281-7290.

Iversen, B. B., Bentien, A., Bryan, J. D., Stucky, G. D., Palmqvist, A. E. C., Schultz, A. J. & Henning, W. (2002). Nuclear density analysis. The case of Ba8Ga16Si30. Materials Research Society Symposium Proceedings, 691, 445-450.

Bøgevig, A., Gothelf, K. V. & Jørgensen, K. A. (2002). Nucleophilic Addition of Nitrones to Ketones - Development of a new Catalytic Asymmetric Nitrone-Aldol Reaction. Chemistry: A European Journal, 8, 5652-5661.

Jensen, S. K. (2002). O-...HOH bond length in hydrates of the atomic oxygen radical anion. Journal of Molecular Structure: THEOCHEM, 578, 63-64.

Weissbuch, I., Bolbach, G., Zepik, H., Shavit, E., Tang, M., Frey, J., Jensen, T. R., Kjaer, K., Leiserowitz, L. & Lahav, M. (2002). Oligopeptides with homochiral sequences generated from racemic precursors that spontaneously separate into enantiomorphous two-dimensional crystalline domains on water surface. Journal of the American Chemical Society, 124, 9093-9104.

Thorhauge, J., Roberson, M., Hazell, R. G. & Jørgensen, K. A. (2002). On the Intermediates in Chiral Bis(oxazoline)copper(II)-Catalyzed Enantioselective Reactions - Experimental and Theoretical Investigations. Chemistry: A European Journal, 8, 1888-1898.

Saaby, S., Bayon, P., Aburel, P. S. & Jørgensen, K. A. (2002). Optically Active Aromatic and Heteroaromatic alpha-Amino Acids by a One-Pot Catalytic Enantioselective Addition of Aromatic and Heteroaromatic C-H Bonds to alpha-Imino Esters. Journal of Organic Chemistry, 67, 4352-4361.

Hald, K., Halkier, A., Jørgensen, P. & Coriani, S. (2002). Orbital nonrelaxed coupled cluster singles and doubles with perturbative triples corrections calculations of first-order one-electron properties. Journal of Chemical Physics, 117, 9983-9990.

Halland, N., Hazell, R. G. & Jørgensen, K. A. (2002). Organocatalytic Asymmetric Conjugate Addition of Nitroalkanes to alpha,beta-Unsaturated Enones Using Novel Imidazoline Catalysts. Journal of Organic Chemistry, 67, 8331-8338.

Jensen, M. Ø., Jensen, T. R., Kjaer, K., Bjørnholm, T., Mouritsen, O. G. & Peters, G. H. (2002). Orientation and Conformation of Lipase at an Interface Studied by Molecular Dynamics Simulations. Biophysical Journal, 83, 98-111.

Poulsen, M. D., Skovsen, E. & Stapelfeldt, H. (2002). Photodissociation of laser aligned iodobenzene : Towards selective photoexcitation. Journal of Chemical Physics, 117, 2097-2102.

Jensen, F. (2002). Polarization consistent basis sets II. Estimating the Kohn-Sham basis set limit. Journal of Chemical Physics, 116(17), 7372-7379. https://doi.org/10.1063/1.1465405

Jensen, F. (2002). Polarization consistent basis sets. III. The importance of diffuse functions. Journal of Chemical Physics, 117(20), 9234-9240. https://doi.org/10.1063/1.1515484

Christensen, J. H., Glasius, M., Pécseli, M., Platz, J. & Pritzl, G. (2002). Polybrominated diphenyl ethers (PBDEs) in marine fish and blue mussels from southern Greenland. Chemosphere, 47(6), 631-638. https://doi.org/10.1016/S0045-6535(02)00009-7

Cannavacciuolo, L. & Pedersen, J. S. (2002). Properties of polyelectrolyte chains from analysis of angular correlation functions. Journal of Chemical Physics, 117, 8973-8982.

Lillelund, V., Jensen, H. H., Liang, X. & Bols, M. (2002). Recent Developments of Transition State Analogue Glycosidase Inhibitors of Non-Natural Product Origin. Chemical Reviews, 102, 515-553.

Daasbjerg, K. & Sehested, K. (2002). Reduction of Substituted Benzenediazonium Salts by Solvated Electrons in Aqueous Neutral Solution studied by Pulse Radiolysis. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 106, 11098-11106.

Pedersen, J. S. & Svaneborg, C. (2002). Scattering from block copolymer micelles. Current Opinion in Colloid & Interface Science, 7, 158-166.

Cannavacciuolo, L., Pedersen, J. S. & Schurtenberger, P. (2002). Single-coil properties and concentration effects for polyelectrolyte-like wormlike micelles: a Monte Carlo study. Journal of Physics: Condensed Matter, 14, 2283-2295.

Arleth, L., Bergstrom, M. & Pedersen, J. S. (2002). Small-angle neutron scattering study of the growth behavior, flexibility, and intermicellar interactions of wormlike SDS micelles in NaBr aqueous solutions. Langmuir, 18, 5343-5353.

Jacobsen, M. F., Turks, M., Hazell, R. G. & Skrydstrup, T. (2002). SmI2-Mediated Cyclizations of Derivatized b-Lactams for the Highly Diastereoselective Construction of Functionalized Prolines. Journal of Organic Chemistry, 67, 2411-2417.

Mathur, S., Shen, H., Lecerf, N., Jilavi, M. H., Cauniene, V., Jørgensen, J.-E. & Kareiva, A. (2002). Sol-Gel Synthesis Route for the Preparation of Y(Ba1-xSrx)2Cu4O8 Superconducting Oxides. Journal of Sol-Gel Science and Technology, 24, 57-68.

Brinck, T., Carlqvist, P., Holm, A. H. & Daasbjerg, K. (2002). Solvation of Sulfur-Centered Cations and Anions in Acetonitrile. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 106, 8827-8833.

Bak, M., Schultz, R., Vosegaard, T. & Nielsen, N. C. (2002). Specification and visualization of anisotropic interaction tensors for numerical simulation of solid-state NMR experiments on polypeptide structures. Journal of Magnetic Resonance, 154.

Jensen, H. H., Lyngbye, L., Jensen, A. & Bols, M. (2002). Stereoelectronic Substituent Effects in Polyhydroxylated Piperidines and Hexahydropyridazines. Chemistry: A European Journal, 8, 1218-1226.

Andersen, L. K. & Ogilby, P. R. (2002). A nanosecond near-infrared step-scan Fourier transform absorption spectrometer: Monitoring singlet oxygen, organic molecule triplet states, and associated thermal effects upon pulsed-laser irradiation of a photosensitizer. . Review of Scientific Instruments, 73, 4313-4325.

Gerstenberg, M. C., Pedersen, J. S., Majewski, J. & Smith, G. S. (2002). Surface induced ordering of triblock copolymer micelles at the solid-liquid interface. 1. Experimental results. Langmuir, 18, 4933-4943.

Rasmussen, B. S., Elezcano, U. & Skrydstrup, T. (2002). Synthesis and binding properties of chiral macrocyclic barbiturate receptors: application to nitrile oxide cyclisations. Journal of the Chemical Society, Perkin Transactions 1, 1723-1733.

Jensen, H. H., Jensen, A., Hazell, R. & Bols, M. (2002). Synthesis and investigation of L-fuco- and D-glucurono-azafagomine. Journal of the Chemical Society, Perkin Transactions 1, 1190-1198.

Sørensen, H., Larsen, J., Rasmussen, B. S., Laursen, B., Hansen, S. G., Skrydstrup, T., Amatore, C. & Jutand, A. (2002). Synthesis and Investigation of New Macrocyclic Diphosphine-Palladium(0) Complexes Based on the Barbiturate Binding Receptor. Organometallics, 21, 5243-5253.

Vosegaard, T., Malmendal, A. & Nielsen, N. C. (2002). The flexibility of SIMPSON and SIMMOL for numerical simulations in solid- and liquid-state NMR spectroscopy. Chem. Monthly, 133, 1555-1574.

Larsen, J., Madsen, D., Poulsen, J.-A., Poulsen, T. D., Keiding, S. R. & Thøgersen, J. (2002). The photoisomerization of aqueous ICN studied by subpicosecond transient absorption spectroscopy. Journal of Chemical Physics, 116, 7997-8005.

Lindgreen, H., Drits, V. A., Sakharov, B. A., Jakobsen, H. J., Salyn, A. L., Dainyak, L. G. & Krøyer, H. (2002). The structure and diagenetic transformation of illite-smectite and chlorite-smectite from North Sea Cretaceous-Tertiary chalk. Clay Minerals, 37, 429-450.

Drits, V. A., Lindgreen, H., Sakharov, B. A., Jakobsen, H. J., Salyn, A. L. & Dainyak, L. G. (2002). Tobelitization of smectite during oil generation in oil-source shales. Application to North Sea illite-tobelite-smectite-vermiculite. Clays and Clay Minerals, 50, 82-98.

Zubarev, R. A., Haselmann, K. F., Budnik, B., Kjeldsen, F. & Jensen, F. (2002). Towards an understanding of the mechanism of electron-capture dissociation: A historical perspective and modern ideas. European Journal of Mass Spectrometry, 8(5), 337-349. https://doi.org/10.1255/ejms.517

Vosegaard, T. & Nielsen, N. C. (2002). Towards high-resolution solid-state NMR on large uniformly ¹⁵N- and [¹³C, ¹⁵N]-labeled membrane proteins in oriented lipid bilayers. J. Biomol. NMR, 22, 225-247.

Sommer, C., Pedersen, J. S., Egelhaaf, S. U., Cannavacciuolo, L., Kohlbrecher, J. & Schurtenberger, P. (2002). Wormlike micelles as "equilibrium polyelectrolytes": Light and neutron scattering experiments. Langmuir, 18, 2495-2505.

Odgaard, L., Bak, M., Jakobsen, H. J. & Nielsen, N. C. (2001). 13C Chemical Shift and 13C-14N Dipolar Coupling Tensors Determined by 13C Rotary Resonance Solid-State NMR. Journal of Magnetic Resonance, 148, 298-308.

Jakobsen, H. J., Bildsøe, H., Skibsted, J. & Giavani, T. (2001). 14N MAS NMR Spectroscopy: The Nitrate Ion. Journal of the American Chemical Society, 123, 5098-5099.

Nielsen, U. G., Jakobsen, H. J. & Skibsted, J. B. (2001). 51V MAS NMR Investigation of 51V Quadrupole Coupling and Chemical Shift Anisotropy in Divalent Metal Pyrovanadates. J. Phys. Chem. B., 105, 420-429.

Nielsen, U. G., Jakobsen, H. J. & Skibsted, J. (2001). 59Co Chemical Shift Anisotropy and Quadrupole Coupling for K3Co(CN)6 from MQMAS NMR and MAS NMR Spectroscopy. Solid State Nuclear Magnetic Resonance, 20, 23-24.

Displaying results 4751 to 4800 out of 5242

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Revised 24.09.2025

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Department of Chemistry