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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Sloth, M., Bilde, M. & Mikkelsen, K. V. (2003). A quantum mechanical/molecular mechanical approach to the investigation of particle-molecule interactions. Journal of Chemical Physics, (118), 10085-10092.

Torday, L. L., Jensen, S. K. & Csizmadia, I. G. (2003). Are nitrate esters likely to produce peroxy containing species? Med. Chem. Res., 12, 139-146.

Paschen, S., Pacheco, V., Bentien, A., Sanchez, A., Carrillo-Cabrera, W., Baenitz, M., Iversen, B. B., Grin, Y. & Steglich, F. (2003). Are type-I clathrates Zintl phases and 'phonon glasses and electron single crystals'? Physica B, 328, 39-43.

Christiansen, O. (2003). A second quantization formulation of multimode dynamics. Journal of Chemical Physics, 120, 2140-2148.

Pedersen, J. S., Almdal, K., Hamley, I. W., Young, R. N. & Svaneborg, C. (2003). A small-angle neutron and X-ray contrast variation scattering study of the structure of block copolymer micelles: Corona shape and excluded volume interactions. Macromolecules, 36, 416-433. https://doi.org/10.1021/ma062139l

Jørgensen, K. A. (2003). Asymmetric Friedel-Crafts Reactions: Catalytic Enantioselective Addition of Aromatic and Heteroaromatic C-H Bonds to Activated Alkenes, Carbonyl Compounds, and Imines. Synthesis, 7, 1117-1125.

Jacobsen, M. F. & Skrydstrup, T. (2003). Asymmetric Mannich-Type Reactions for the Synthesis of Aspartic Acid Derivatives from Chiral N-tert-Butanesulfinylimino Esters. J. Org. Chem., 68, 7112-7114.

Juel, I., Herfort, D., Gollop, R., Konnerup-Madsen, J., Jakobsen, H. J. & Skibsted, J. (2003). A thermodynamic model for predicting the stability of thaumasite. Cement and Concrete Composites, 25, 867-872. http://www.sciencedirect.com/science?_ob=MImg&_imagekey=B6TWF-49NVGWW-1-H&_cdi=5561&_orig=browse&_coverDate=12%2F31%2F2003&_sk=999749991&view=c& wchp=dGLbVtb-zSkWb&_acct=C000034578&_version=1&_userid=642076&md5=77425a3e0e1a20826942ceed2924c3c8&ie=f.pdf

Cacheiro, J. L., Fernández, B., Koch, H., Makarewicz, J., Hald, K. & Jørgensen, P. (2003). Benzene-argon triplet intermolecular potential energy surface. Journal of Chemical Physics, 119, 4762-4767.

Ferapontova, E. & Gorton, L. (2003). Bioelectrocatalytical detection of H₂O₂ with different forms of horseradish peroxidase directly adsorbed at polycrystalline silver and gold. Electroanalysis, 15(5-6), 484-491. https://doi.org/10.1002/elan.200390058

Hald, K., Pawlowski, F., Jørgensen, P. & Hättig, C. (2003). Calculation of frequency-dependent polarizabilities using the approximate coupled-cluster triples model CC3. Journal of Chemical Physics, 118, 1292-1300.

Risgaard, T., Gothelf, K. V. & Jørgensen, K. A. (2003). Catalytic asymmetric Henry Reactions of silyl nitronates with aldehydes. Organic & Biomolecular Chemistry, 1, 153-156.

Bernardi, L., Gothelf, A. S., Hazell, R. G. & Jørgensen, K. A. (2003). Catalytic Asymmetric Mannich Reactions of Glycine Derivatives with Imines. A New Approach to Optically Active alpha,beta-Diamino Acid Derivatives. J. Org. Chem., 68, 2583-2591.

Knudsen, K. R., Bachmann, S. & Jørgensen, K. A. (2003). Catalytic enantioselective transaminiation of -keto esters: an organic approach to enzymatic reactions. Chemical Communications, 20, 2602-2603. http://pubs.rsc.org/ej/CC/2003/b308395k.pdf?&VOLNO=&Yr=2003&Fp=&Ep=&JournalCode=CC&Iss=Advance_Article

Marigo, M., Juhl, K. & Jørgensen, K. A. (2003). Catalytic, Highly Enantioselective, Direct Amination of beta-Ketoesters. Angewandte Chemie International Edition, 42, 1367-1369.

Osted, A., Kongsted, J., Mikkelsen, K. V. & Christiansen, O. (2003). Cc2 dielectric continuum and cc2/molecular mechanics models. Journal of Chemical Physics, 101, 2055-2071.

Poulsen, L., Ruiz, A. Z., Pedersen, S. U. & Ogilby, P. R. (2003). Characterizing the Behavior and Properties of an Excited Electronic State: Electron-Transfer Mediated Quenching of Fluorescence. J. Chem. Edu., 80, 819-821.

Ruden, T. A., Helgaker, T., Jørgensen, P. & Olsen, J. (2003). Coupled-cluster connected-quadruples corrections to atomization energies. Chemical Physics Letters, 371, 62-67.

Britz, D., Østerby, O. & Strutwolf, J. (2003). Damping of Crank-Nicolson error oscillations. Computational Biology and Chemistry, 27, 253-263.

Britz, D., Østerby, O. & Strutwolf, J. (2003). Damping of Crank–Nicolson error oscillations. Computational Biology and Chemistry, 27(3), 253-263. https://doi.org/10.1016/S0097-8485(02)00075-X

Zebger, I., Goikoetxea, A. B., Jensen, S. & Ogilby, P. R. (2003). Degradation of Vinyl Polymer Films upon Exposure to Chlorinated Water: The Pronounced Effect of a Sample's Thermal History. Polym Degrad Stabil, 80, 293-304.

Giavani, T., Bildsøe, H., Skibsted, J. & Jakobsen, H. J. (2003). Determination of nitrogen chemical shift anisotropy from the second-order cross-term in 14N MAS NMR spectroscopy. Chemical Physics Letters, 377, 426-432. http://www.sciencedirect.com/science?_ob=MImg&_imagekey=B6TFN-495VMSG-4-2T&_cdi=5231&_orig=browse&_coverDate=08%2F15%2F2003&_sk=996229996&view=c&w chp=dGLbVtb-zSkzS&_acct=C000034578&_version=1&_userid=642076&md5=c9bfe228a62531273aedb2446be7cb07&ie=f.pdf

Halland, N., Velgaard, T. & Jørgensen, K. A. (2003). Direct Asymmetric Michael Reactions of Cyclic 1,3-Dicarbonyl Compounds and Enamines Catalyzed by Chiral Bisoxazoline-Copper(II) Complexes. J. Org. Chem., 68, 5067-5074.

Marigo, M., Kjærsgaard, A., Juhl, K., Gathergood, N. & Jørgensen, K. A. (2003). Direct Catalytic Asymmetric Mannich Reactions of Malonates and beta-Keto Esters. Chemistry: A European Journal, 9, 2359-2367.

Ferapontova, E. E. & Domínguez, E. (2003). Direct electrochemical oxidation of DNA on polycrystalline gold electrodes. Electroanalysis, 15(7), 629-634. https://doi.org/10.1002/elan.200390079

Ferapontova, E. E., Ruzgas, T. & Gorton, L. (2003). Direct electron transfer of heme- and molybdopterin cofactor-containing chicken liver sulfite oxidase on alkanethiol-modified gold electrodes. Analytical Chemistry, 75(18), 4841-4850. https://doi.org/10.1021/ac0341923

Melchiorre, P. & Jørgensen, K. A. (2003). Direct Enantioselective Michael Addition of Aldehydes to Vinyl Ketones Catalyzed by Chiral Amines. J. Org. Chem., 68, 4151-4157.

Kareiva, A., Mathur, S., Jørgensen, J.-E. & Tautkus, S. (2003). Effect of strontium substitution on superconductivity in YBa2Cu4O8. Philos. Mag., 83, 1917-1927.

Ferapontova, E. E. & Shipovskov, S. V. (2003). Electrochemically induced oxidative damage to double-stranded calf thymus DNA adsorbed on gold electrodes. Biochemistry (Moscow), 68(1), 99-104. https://doi.org/10.1023/A:1022153720508

Ferapontova, E. E. & Shipovskov, S. V. (2003). Electrochemically induced oxidative damage to double-stranded calf thymus DNA adsorbed on gold electrodes. Biokhimiya, 68(1), 118-124.

Overgaard, J., Larsen, F. K., Schiøtt, B. & Iversen, B. B. (2003). Electron Density Distributions of Redox Active Mixed Valence Carboxylate Bridged Trinuclear Iron Complexes. Journal of the American Chemical Society, 125, 11088-11099.

Bjerring, M., Rasmussen, J. T., Krogshave, R. S. & Nielsen, N. C. (2003). Heteronuclear coherence transfer in solid-state NMR using a gamma-encoded transferred echo experiment. Journal of Chemical Physics, 119, 8916-8926. https://doi.org/10.1063/1.1613933

Bjerring, M. & Nielsen, N. C. (2003). Solid-state NMR heteronuclear dipolar recoupling using off-resonance symmetry-based pulse sequences. Chemical Physics Letters, 370, 496-503. https://doi.org/10.1016/S0009-2614(03)00103-9

Bilde, M., Svenningsson, B., Mønster, J. G. & Rosenørn, T. (2003). Even-odd alternation of evaporatrion rates and vapor pressures of C3-C9 dicarboxylic acid aerosols. Environmental Science & Technology, (37), 1371-1378.

Overgaard, J., Hibbs, D. E., Rentschler, E., Timco, G. A. & Larsen, F. K. (2003). Experimental and Theoretical Electron Density Distribution and Magnetic Properties of the Butterfly-like Complex [Fe4(O2(O2CCMe3)8(NC5H4Me)2]2CH3CN. Inorg. Chem., 42, 7593-7601.

Antonello, S., Daasbjerg, K., Jensen, H., Taddei, F. & Maran, F. (2003). Formation and Cleavage of Aromatic Disulfide Radical Anions. Journal of the American Chemical Society, 125, 14905-14916.

van Linge, H. L., Zhuang, W., Hansen, T., Rutjes, F. P. J. T. & Jørgensen, K. A. (2003). Formation of optically active chromanes by catalytic asymmetric tandem oxa-Michael addition-Friedel-Crafts alkylation reactions. Organic & Biomolecular Chemistry, 1, 1953-1958. http://www.rsc.org/CFmuscat/intermediate_abstract.cfm?FURL=/ej/OB/2003/b303353h.PDF

Bøgevig, A., Poulsen, T. B., Zhuang, W. & Jørgensen, K. A. (2003). Formation of Optically Active Functionalized beta-Hydroxy Nitrones Using a Proline Catalyzed Aldol Reaction of Aldehydes with Carbonyl Compounds and Nydroxylamines. SYNLETT: Accounts and Rapid Communications in Chemical Synthesis, 12, 1915-1918.

Mikkelsen, L. M., Jensen, C. M., Høj, B., Blakskjær, P. & Skrydstrup, T. (2003). Further studies in the acyl-type radical additions promoted by SmI2: mechanistic implications and stereoselective reduction of the keto-functionality. Tetrahedron, 59, 10541-10549.

Boye, S. V., Nielsen, S. V., Nielsen, S. B., Krogh, H., Lapierre, A., Pedersen, H. B., Pedersen, S. U., Pedersen, U. V. & Andersen, L. H. (2003). Gas-phase absorption properties of a green fluorescent proteinmutant chromophore. Journal of Chemical Physics, 119, 338-345.

Arleth, L., Bauer, R., Ogendal, L. H., Egelhaaf, S. U., Schurtenberger, P. & Pedersen, J. S. (2003). Growth behavior of mixed wormlike micelles: a small-angle scattering study of the lecithin-bile salt system. Langmuir, 19, 4096-4104.

Gatti, C., Bertini, L., Blake, N. P. & Iversen, B. B. (2003). Guest-Framework Interaction in Type I Inorganic Clathrates with Promising Thermoelectric Properties: On the Ionic versus Neutron Nature of the Alkaline-Earth Metal Guest A in A8Ga16Ge30 (A = Sr, Ba). Chemistry: A European Journal, 9, 4556-4568.

Britz, D. (2003). Higher-order spatial discretisations in digital simulations. Algorithm for any multi-point first- or second derivative on an arbitrarily spaced grid. Electrochemistry Communications, 5, 195-198.

Britz, D. & Strutwolf, J. (2003). Higher-order spatial discretisations in electrochemical digital simulations. Part 4. Discretisation on an arbitrarily spaced grid. Comp. Biol. Chem., 27, 327-337.

Halland, N., Aburel, P.-S. & Jørgensen, K. A. (2003). Highly Enantioselective Organocatalytic Conjugate Addition of Malonates to Acyclic a,b-Unsaturated Enones. Angewandte Chemie International Edition, 42, 661-665.

Jørgensen, J.-E., Jakobsen, J. M., Jiang, J. Z., Gerward, L. & Olsen, J. S. (2003). High-pressure X-ray diffraction study of bulk- and nanocrystalline GaN. J. Appl. Crystallogr., 36, 920-925.

Weissbuch, I., Zepik, H., Bolbach, G., Shavit, E., Tan, M., Jensen, T. R., Kjaer, K., Leiserowitz, L. & Lahav, M. (2003). Homochiral Oligopeptides by Chiral Amplification within Two-Dimensional Crystalline Self-Assemblies at the Air-Water Interface; Relevance to Biomolecular Handedness. Chemistry: A European Journal, 9, 1782-1794. http://www3.interscience.wiley.com/cgi-bin/fulltext/104520225/PDFSTART

Larsen, F. K., Overgaard, J., Parsons, S., Rentschler, E., Smith, A. A., Timco, G. A. & Winpenny, R. E. P. (2003). Horseshoes, Rings, and Distorted Rings: Studies of Cyclic Chromium-Fluoride Cages. Angewandte Chemie International Edition, 42, 5978-5981.

Krøyer, H., Lindgreen, H., Jakobsen, H. J. & Skibsted, J. (2003). Hydration of Portland cement in the presence of clay minerals studied by 29Si and 27Al MAS NMR spectroscopy. Advances in Cement Research, 15, 103-112.

Jensen, S. K., Tang, T.-H. & Csizmadia, I. G. (2003). Hydrogen-Bonding Ability of a Methyl Group. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 107, 8975-8979.

Displaying results 4601 to 4650 out of 5242

Revised 24.09.2025

Department of Chemistry