Institut for Kemi

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Institut for Kemi er et af de mest produktive institutter på Aarhus Universitet. Der udgives et væld af artikler i videnskabelige tidsskrifter, som du finder herunder.

Publikationer fra Institut for Kemi

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Bella, M. & Jørgensen, K. A. (2004). Organocatalytic Enantioselective Conjugate Addition to Alkynones. Journal of the American Chemical Society, 126.
Ivarsen, A., Thøgersen, J., Keiding, S. R. & Møller-Pedersen, T. (2004). Plastic particles at the LASIK interface. Ophthalmology, 111, 18-23.
Jensen, T. R. (2004). Poul la Cour og vindmøllerne. Aktuel Naturvidenskab, 2.
Larsen, J., Rasmussen, B. S., Hazell, R. G. & Skrydstrup, T. (2004). Preparation of a novel diphosphine-palladium macrocyclic complex possessing a molecular recognition site. Oxidative addition studies. Chemical Communications, 202-203.
Johannesen, S. A., Albu, S., Hazell, R. G. & Skrydstrup, T. (2004). Radical addition of nitrones to acrylates mediated by SmI2: asymmetric synthesis of α-amino acids employing carbohydrate-based chiral auxilliaries. Chemical Communications, 1962-1963.
Bieniasz, L. K. & Britz, D. (2004). Recent developments in digital simulation of electroanalytical experiments. Polish Journal of Chemistry, 78, 1195-1219.
Britz, D., Poulsen, K. & Strutwolf, J. (2004). Reference values of the diffusion-limited current at a disk electrode. Electrochimica Acta, 50, 107-113.
Dietz, R., Riget, F., Hobson, K. A., Heide-Jørgensen, M. P., Møller, P., Cleemann, M., de Boer, J. & Glasius, M. (2004). Regional and inter annual patterns of heavy metals, organochlorines and stable isotopes in narwhals (Monodon monoceros) from West Greenland. Science of the Total Environment, 331(1-3), 83-105. https://doi.org/10.1016/j.scitotenv.2004.03.041
Enemærke, R. J., Larsen, J., Skrydstrup, T. & Daasbjerg, K. (2004). Revelation of the Nature of the Reducing Species in Titanocene Halide Promoted Reductions. Journal of the American Chemical Society, 126, 7853-7864.
Castelletto, V., Hamley, I. W., Xue, W., Sommer, C., Pedersen, J. S. & Olmsted, P. D. (2004). Rheological and structural characterization of hydrophobically modified polyacrylamide solutions in the semidilute regime. Macromolecules, 37(4), 1492-1501.
Pedersen, J. S. & Schurtenberger, P. (2004). Scattering functions of semidilute solutions of polymers in a good solvent. Journal of Polymer Science. Part B, Polymer Physics, 42, 3081-3094.
Lipschutz, B. H., Frieman, B. & Birkedal, H. (2004). Scavenging and Reclaiming Phosphines Associated with Group 10 Metal-Mediated Couplings. Org. Lett., 6, 2305-2308.
Kongsted, J., Osted, A., Mikkelsen, K. V. & Christiansen, O. (2004). Second harmonic generation second hyperpolarizability of water calculated using the combined coupled cluster dielectric continuum or different molecular mechanics methods. Journal of Chemical Physics, 120, 3787-3798.
Brown, R. S., Nielsen, M. & Gothelf, K. V. (2004). Self-assembly of aluminium-salen coupled nanostructures from encoded modules with cleavable disulphide DNA-linkers. Chemical Communications, 13, 1464-1465.
Snyder, J. W., Zebger, I., Gao, Z., Poulsen, L., Frederiksen, P. K., Skovsen, E., McIlroy, S. P., Klinger, M., Andersen, L. K. & Ogilby, P. R. (2004). Singlet Oxygen Microscope: From Phase-Separated Polymers to Single Biological Cells. Accounts of Chemical Research, 37, 894-901.
Stieger, M., Richtering, W., Pedersen, J. S. & Lindner, P. (2004). Small-angle neutron scattering study of structural changes in temperature sensitive microgel colloids. Journal of Chemical Physics, 120(13), 6197-6206.
Castelletto, V., Hamley, I. W. & Pedersen, J. S. (2004). Small-angle neutron scattering study of the structure of superswollen micelles formed by a highly asymmetric poly(oxybutylene)-poly(oxyethylene) diblock copolymer in aqueous solution. Langmuir, 20(7), 2992-2994.
Kongsted, J., Pedersen, T. B., Osted, A., Hansen, A. E., Mikkelsen, K. V. & Christiansen, O. (2004). Solvent effects on rotatory strength tensors. 1. Theory and application of the combined coupled cluster/dielectric continuum model. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 108, 3632-3641.
Kongsted, J., Osted, A., Mikkelsen, K. V., Astrand, P. O. & Christiansen, O. (2004). Solvent effects on the n -pi(*) electronic transition in formaldehyde: A combined coupled cluster/molecular dynamics study. Journal of Chemical Physics, 8435-8445.
Godovsky, Y. K., Brezesinski, G., Ruiz-Garcia, J., Möhwald, H., Jensen, T. R., Kjaer, K. & Makarova, N. N. (2004). Stepwise Collapse of Cyclolinear Polysiloxane Langmuir Monolayers Studied by Brewster Angle Microscopy and Grazing Incidence X-ray Diffraction. Macromolecules, 37(13), 4872-4881.
Overgaard, J., Rentschler, E., Timco, G. A. & Larsen, F. K. (2004). Structural and Magnetic Investigations of the Mixed-Valence FeII,III Two-Dimensional Layer Complex, [Fe2IIFe2III(HCOO)10(C6H7N)6]n. ChemPhysChem, 5, 1755-1761.
Andersson, N., Alberius, P. C. A., Pedersen, J. S. & Bergstrom, L. (2004). Structural features and adsorption behaviour of mesoporous silica particles formed from droplets generated in a spraying chamber. Micropor. Mesopor. Mat., 72(1-3), 175-183.
Christensen, M., Iversen, B. B., Bertine, L., Gatti, C., Toprak, M., Muhammed, M. & Nishibori, E. (2004). Structural study of Fe doped and Ni substituted thermoelectric skutterudites by combined synchrotron and neutron powder diffraction and ab initio theory. Journal of Applied Physics, 96(6), 3148-3157.
Wugt Larsen, R., Hegelund, F. & Nelander, B. (2004). Studies of intermolecular vibrations in hydrogen-bonded molecular complexes for the gas phase using a synchrotron radition source. Mol. Phys., 102(16-17), 1743-1747.
Hansen, M. R., Vosegaard, T., Jakobsen, H. J. & Skibsted, J. (2004). 11B Chemical Shift Anisotropies in Borates from 11B MAS, MQMAS, and Single-Crystal NMR Spectroscopy. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 108, 586-594.
Poulsen, R. D., Bentien, A., Graber, T. & Iversen, B. B. (2004). Synchrotron charge-density studies in materials chemistry: 16 K X-ray charge density of a new magnetic metal-organic framework material,(Mn2(C8H4O4)2(C3H7NO)2. Acta Crystallographica Section A: Foundations and Advances, 60, 382-389.
Liu, H., Lillelund, V. H., Andersch, J., Liang, X. & Bols, M. (2004). Synthesis and chemistry of noeuromycin and isofagomine analogues. J. Carb. Chem, 23, 223-238.
Nielsen, M., Thomsen, A. H., Clo, E., Kirpekar, F. & Gothelf, K. V. (2004). Synthesis of Linear and Tripoidal Oligo(phenylene ethynylene)-Based Building Blocks for Application in Modular DNA-Programmed Assembly. J. Org. Chem., 69, 2240-2250.
Nielsen, N. C., Malmendal, A. & Vosegaard, T. (2004). Techniques and Applications of NMR to Membrane Proteins. Mol. Membr. Biol., 21, 129-141.
Sommer, C. & Pedersen, J. S. (2004). Temperature dependence of the structure and interaction of starlike PEG-based block copolymer micelles. Macromolecules, 37(5), 1682-1685.
Schiøtt, B., Overgaard, J., Larsen, F. K. & Iversen, B. B. (2004). Testing Theory Beyond Molecular Structure: Electron Density Distributions of Complex Molecules. Int. J. Qantum. Chem., 96.
Bülow, A., Meyer, T., Olszewski, T. K. & Bols, M. (2004). The C-4 Configuration as a Probe for the Study of Glycosidation Reactions. European Journal of Organic Chemistry, 2004, 323-329.
Birkedal, H., Madsen, D., Mathiesen, R. H., Knudsen, K., Weber, H. P., Pattison, P. & Schwarzenbach, D. (2004). The charge density of urea from synchrotron diffraction data. Acta Crystallographica Section A: Foundations and Advances, 60, 371-381.
Nielsen, U. G., Topsøe, N.-Y., Brorson, M., Skibsted, J. & Jakobsen, H. J. (2004). The Complete 51V MAS NMR Spectrum of Surface Vanadia Nanoparticles on Anatase (TiO2): Vanadia Surface Structure of a DeNOx Catalysts. Journal of the American Chemical Society, 126(15), 4926-4933.
Jørgensen, J.-E., Marshall, W. G. & Smith, R. I. (2004). The compression mechanism of CrF3. Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 60, 669-673.
Chakrabarty, S., Poddar, R. K., Poulsen, R. D., Thompson, A. L. & Howard, J. A. K. (2004). The copper(II)complexes di-μ-bromo-bis{[2,6-bis(pyrazol-1-yl)pyridine]per-chloratocopper(II)} and [2,6-bis(pyra-zol-1-yl)pyridine]dibromocopper(II). Acta Crystallogr. C., C60.
Rizzo, A., Kallay, M., Gauss, J., Pawlowski, F., Jørgensen, P. & Hättig, C. (2004). The Cotton-Mouton effect on neon and argon: A benchmark study using highly correlated coupled cluster wave functions. Journal of Chemical Physics, 121(19), 9461-9473.
Drits, V. A., Lindgreen, H., Sakharov, B. A., Jakobsen, H. J. & Zviagina, B. B. (2004). The detailed structure and origin of clay minerals at the Cretaceous/Tertiary boundary, Stevns Klint (Denmark). Clay Minerals, 39, 367-390.
Jensen, H. H., Nordstrøm, L. U. & Bols, M. (2004). The disarming effect of the 4,6-acetal group on glycoside reactivity. Torsional or electronic ? Journal of the American Chemical Society, 126(30), 9205-9213.
Overgaard, J. & Hibbs, D. E. (2004). The experimental electron density in polymorphs A and B of the anti-ulcer drug famotidine. Acta Crystallographica Section A: Foundations and Advances, 60, 480-487.
Wabnitz, T. C., Saaby, S. & Jørgensen, K. A. (2004). The first catalytic inverse-electron demand hetero-Diels-Alder reaction of nitroso alkenes using pyrrolidine as an organocatalyst. Organic and Biomolecular Chemistry, 2, 828-834.
Pawlowski, F., Jørgensen, P. & Hättig, C. (2004). The hyperpolarizability of the Ne atom in the approximate coupled cluster triples model CC3. Chemical Physics Letters, 391, 27-32.
Schiøtt, B. (2004). The Influence of Solvation on the Asp-His Interaction in Subtilisins. Insights from a Density Functional Theory Study. Chemical Communications, 498-499.
Hegelund, F., Wugt Larsen, R., Aitken, R. A., Kraus, H., Nicolaisen, F. M. & Palmer, M. H. (2004). The infrared spectrum of isothiazole in the range 600-1500 cm-1: Including a high-resolution study of the nu11(A') band at 818 cm-1 and the nu16(A'') band at 727 cm-1 together with ab initio studies of the full spectrum. Mol. Phys., 14-15(102), 1583-1595.
Palmer, M. H., Wugt Larsen, R. & Hegelund, F. (2004). The infrared spectrum of isoxazole in the range 600-1400 cm-1: Including a high-resolution study of the nu7(A') band at 1370.9 cm-1 and the nu16(A'') band at 764.9 cm-1, together with ab initio studies of the full spectrum. Mol. Phys., 14-15(102), 1569-1581.
Cador, O., Gatteschi, D., Sessoli, R., Larsen, F. K., Overgaard, J., Barra, A.-L., Teat, S. J., Timco, G. A. & Winpenny, R. E. P. (2004). The Magnetic Möbius Strip: Synthesis, Structure, and Magnetic Studies of Odd-Numbered Antiferromagnetically Coupled Wheels. Angewandte Chemie International Edition, 43, 5196-5200.
Madsen, G. K. H. (2004). The metal-insulator phase transition in mixed potassium-rubidium electro-sodalites. Acta Crystallographica Section A: Foundations and Advances, 60, 450-454.
Kongsted, J., Osted, A., Pedersen, T. B., Mikkelsen, K. V. & Christiansen, O. (2004). The n -pi* electronic transition in microsolvated formaldehyde. A coupled cluster and combined coupled cluster/molecular mechanics study. Journal of Chemical Physics, 108, 8624-8632.
Bentien, A., Christensen, M., Bryan, J. D., Sanchez, A., Paschen, S., Steglich, F., Stucky, G. D. & Iversen, B. B. (2004). Thermal conductivity of thermoelectric clathrates. Physical Review B, 69, 45107-45107.
Thøgersen, L., Olsen, J., Yeager, D., Jørgensen, P., Salek, P. & Helgaker, T. (2004). The trust-region self-consistent field method: Towards a black-box optimization in Hartree-Fock and Kohn-Sham theories. Journal of Chemical Physics, 121, 16-27.

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Revideret 08.05.2026
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Institut for Kemi