Department of Chemistry

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 Department of Chemistry Research Publications

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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Gothelf, K. V. & Brown, R. S. (2005). A Modular Approach to DNA-Programmed Self-assembly of Macromolecular Nanostructures. Chemistry: A European Journal, 11(4), 1062-1069.
Bernardi, L., Zhuang, W. & Jørgensen, K. A. (2005). An Easy Approach to Optically Active &alpha-Amino Phosphonic Acid Derivatives by Lewis-Acid Catalyzed Enantioselective Amination of Phosphonates. Journal of the American Chemical Society, 127, 5772.
Prieto, A., Halland, N. & Jørgensen, K. A. (2005). A Novel Imidazolidine-Tetrazole Organocatalyst of Asymmetric Conjugate Addition of Nitroalkanes. Organic Letters, 7, 3897.
Snyder, J. W., Gao, Z. & Ogilby, P. R. (2005). Application of a dithered sampling technique to increase the spatial resolution of singlet oxygen images. Review of Scientific Instruments, 76(1), 13701-13701.
Marigo, M., Franzén, J., Poulsen, T. B., Zhuang, W. & Jørgensen, K. A. (2005). Asymmetric Organocatalytic Epoxidation of α, β-Unsaturated Aldehydes with Hydrogen Peroxide. Journal of the American Chemical Society, 127, 6964.
Zhuang, W., Poulsen, T. B. & Jørgensen, K. A. (2005). A Versatile Catalyst for Asymmetric Reactions of Carbonyl Groups Working Purely by Activation through Hydrogen bonding: Mukaiyama-Aldol, Hetero Diels-Alder and Friedel-Crafts Reactions. Organic & Biomolecular Chemistry, 3, 3284.
Christiansen, O. & Luis, J. M. (2005). Beyond vibrational self-consistent-field methods: Benchmark calculations for the fundamental vibrations of ethylene. International Journal of Quantum Chemistry, 104, 667-680.
Brusova, Z., Ferapontova, E. E., Sakharov, I. Y., Magner, E. & Gorton, L. (2005). Bioelectrocatalysis of plant peroxidases immobilized on graphite in aqueous and mixed solvent media. Electroanalysis, 17(5-6), 460-468. https://doi.org/10.1002/elan.200403182
Andresen, E. R., Paulsen, H. N., Birkedal, V., Thøgersen, J. & Keiding, S. R. (2005). Broadband multiplex coherent anti-Stokes Raman scattering microscopy employing photonic-crystal fibers. J. Opt. Soc. Am. B, 22(9), 1934-1938.
Malmendal, A., Vander Kooi, C. W., Nielsen, N. C. & Chazin, W. (2005). Calcium-modulated S100 protein-phospholipic interactions. An NMR study of calbindin D9k and DPC. Biochemistry, 44, 6502-6512.
Jensen, C. M., Lindsay, K. B., Taaning, R. H., Karaffa, J., Hansen, A. M., Skrydstrup, T. & Taaning, R. H. (2005). Can decarbonylation of acyl radicals be overcome in radical addition reactions? En route to a solution employing N-acyl oxazolidinones and SmI2/H2O. Journal of the American Chemical Society, 127(18), 6544-5. https://doi.org/10.1021/ja050420u
Jensen, C. M., Lindsay, K. B., Taaning, R. H., Karaffa, J., Hansen, A. M. & Skrydstrup, T. (2005). Can Decarbonylation of Acyl Radicals Be Overcome in Radical Addition Reactions? En Route to a Solution Employing N-Acyl Oxazolidinones and SmI2/H2O. Journal of the American Chemical Society, 127, 6544-6545.
Aburel, P. S., Zhuang, W., Hazell, R. G. & Jørgensen, K. A. (2005). Catalytic and Enantioselective Aza-Ene and Hetero-Diels-Alder Reactions of Alkenes and Dienes with Azodicarboxylates. Organic & Biomolecular Chemistry, 3, 2344.
Jensen, A. K. K. & Jørgensen, K. A. (2005). Catalytic Asymmetric Addition of &beta-Keto Phosphonates to an Activated Imine - Formation of optically Active Functionalized Phosponate &alpha-Amino Acid Derivatives. Organic & Biomolecular Chemistry, 3, 804.
Pawlowski, F., Jørgensen, P. & Hättig, C. (2005). Cauchy Moments of Ne, Ar, and Kr Atoms Calculated Using the Approximate Coupled Cluster Triples Model CC3. Advances in Quantum Chemistry, 48, 9-21.
Jensen, F. (2005). Chapter 1 An Introduction to the State of the Art in Quantum Chemistry. Annual Reports in Computational Chemistry, 1(C), 3-17. https://doi.org/10.1016/S1574-1400(05)01001-7
Jensen, H., Joensen, K. D., Jørgensen, J.-E., Pedersen, J. S. & Søgaard, E. G. (2005). Characterization of partly crystalline photocatalysts. Journal of Nanoparticle Research, 6, 519-526.
Jensen, F. & Ogilby, P. R. (2005). Christopher S. Foote (1935-2005). Angewandte Chemie International Edition, 44, 6268.
Huff Hartz, K. E., Rosenørn, T., Ferchak, S. R., Raymond, T. M., Bilde, M., Donahue, N. M. & Pandis, S. N. (2005). Cloud condensation nuclei activation of monoterpene and sesquiterpene secondary organic aerosol. Journal of Geophysical Research: Earth Surface, 110(14), D14208-15. https://doi.org/10.1029/2004JD005754
Henning, S., Rosenørn, T., D'Anna, B., Gola, A. A., Svenningsson, B. & Bilde, M. (2005). Cloud droplet activation and surface tension of mixtures of slightly soluble organics and inorganic salt. Atmospheric Chemistry and Physics, 5(2), 575-582. https://doi.org/10.5194/acp-5-575-2005
Sørensen, M. B., Hazell, R. G., Chevallier, J., Pind, N. & Jensen, T. R. (2005). Cobalt substitution in a nano-porous zinc phosphate; Hydrothermal Synthesis and Crystal Structure. Microporous and Mesoporous Materials, 84, 144-152.
Schiøtt, B., Lie, M. A., Celik, L. & Jørgensen, K. A. (2005). Cofactor Activation and Substrate Binding in Pyruvate Decarboxylase. Insights into the Reaction Mechanism from Molecular Dynamics Simulations. Biochemistry, 44(45), 14792-14806.
Jensen, F. (2005). Contracted basis sets for density functional calculations: Segmented versus general contraction. Journal of Chemical Physics, 122(7). https://doi.org/10.1063/1.1844313
Aidas, K., Kongsted, J., Osted, A., Mikkelsen, K. V. & Christiansen, O. (2005). Coupled cluster calculation of the n -›pi* electronic transition of acetone in aqueous solution. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 109, 8001-8010.
Kongsted, J., Pedersen, T. B., Strange, M., Osted, A., Hansen, A. E., Mikkelsen, K. V., Pawlowski, F., Jørgensen, P. & Hättig, C. (2005). Coupled Cluster calculations of the optical rotation of S-propylene oxide in gas phase and solution. Chemical Physics Letters, 401, 385-392.
Bentien, A., Nishibori, E., Paschen, S. & Iversen, B. B. (2005). Crystal structures, atomic vibration, and disorder of the type-I thermoelectric clathrates Ba8Ga16Si30, Ba8Ga16Ge30, Ba8In16Ge30, and Sr8Ga16Ge30. Physical Review B, 71, 144107-1-144107-18.
Zebger, I., Elorza, A. L., Salado, J., Alcala, A. G., Goncalves, E. S. & Ogilby, P. R. (2005). Degradation of Poly(1,4-Phenylene Sulfide) on Exposure to Chlorinated Water. Polym Degrad Stabil, 90, 67-77.
Nielsen, C. B., Foster, J. S., Ogilby, P. R. & Nielsen, S. B. (2005). Delayed Dissociation of Photoexcited Porphyrin Cations in a Storage Ring: Determination of Triplet Quantum Yields. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 109, 3875-3879.
Larsen, F. K., Muryn, C. A., Overgaard, J., Timco, G. A. & Winpenny, R. E. P. (2005). Diethanolaminium cyclo-octa-μ2-fluro-hexadeca-μ2-trimethylacetato-κ32 O:O'-heptachromium(III)nickel(II) ethyl acetate 0.5-solvate. Acta Crystallographica Section E: Crystallographic Communications, 61, 1525-1527.
Ferapontova, E. E. & Gorton, L. (2005). Direct electrochemistry of heme multicofactor-containing enzymes on alkanethiol-modified gold electrodes. Bioelectrochemistry, 66(1-2 SPEC. ISS.), 55-63. https://doi.org/10.1016/j.bioelechem.2004.04.004
Ferapontova, E. E., Shleev, S., Ruzgas, T., Stoica, L., Christenson, A., Tkac, J., Yaropolov, A. I. & Gorton, L. (2005). Direct Electrochemistry of Proteins and Enzymes. Perspectives in Bioanalysis, 1(C), 517-598. https://doi.org/10.1016/S1871-0069(05)01016-5
Ferapontova, E. E., Castillo, J., Hushpulian, D., Tishkov, V., Chubar, T., Gazaryan, I. & Gorton, L. (2005). Direct electrochemistry of recombinant tobacco peroxidase on gold. Electrochemistry Communications, 7(12), 1291-1297. https://doi.org/10.1016/j.elecom.2005.09.004
Poulsen, T. B., Alemparte Gallardo, C., Saaby, S., Bella, M. & Jørgensen, K. A. (2005). Direct Organocatalytic Highly Enantio- and Diastereoselective Mannich Reaction of α-Substituted α-Cyanoacetates. Angewandte Chemie International Edition, 44, 2896.
Lichtenegger, H. C., Birkedal, H., Casa, D. M., Cross, J. O., Heald, S. M., Waite, J. H. & Stucky, G. D. (2005). Distribution and Role of Trace Transition Metals in Glycera Worm Jaws Studied with Synchrotron Microbeam Techniques. Chemistry of Materials, 17, 2927-2931.
Nielsen, M., Dauksaite, V., Kjems, J. & Gothelf, K. V. (2005). DNA-Directed Coupling of Organic Modules by Multiple Parallel Reductive Aminations and Subsequent Cleavage of Selected DNA Sequences. Bioconjugate Chemistry, 16(4), 981-985.
Gothelf, K. V. & LaBean, T. H. (2005). DNA-programmed assembly of nanostructures. Organic & Biomolecular Chemistry, 2, 4023-4037.
Dallas, A. S. & Gothelf, K. V. (2005). Effect of Water on the Palladium-Catalyzed Amidation of Aryl Bromides. J. Org. Chem., 70, 3321-3323.
Andersen, M. D., Jakobsen, H. J. & Skibsted, J. (2005). Effects of T2-relaxation in MAS NMR spectra of the satellite transitions for quadrupolar nuclei: a 27Al MAS and single-crystal NMR study of alum KAl(SO4)2.12H2O. Journal of Magnetic Resonance, (173), 209-217.
Larsen, A. G. & Gothelf, K. V. (2005). Electrochemical Properties of Mixed Self-Assembled Monolayers on Gold Electrodes Containing Mercaptooctylhydroquinone and Alkylthiols. Langmuir, 21, 1015-1021.
Holm, A. H., Brinck, T. & Daasbjerg, K. (2005). Elucidation of the Thermochemical Properties of Triphenyl- or Tributyl-Substituted Si-, Ge-, and Sn-Centered Radicals by Means of Electrochemical Approches and Computations. Journal of the American Chemical Society, 127, 2677-2685.
Bernardi, L. & Jørgensen, K. A. (2005). Enantioselective Chlorination and Fluorination of &beta-Keto Phosphonates. Chemical Communications, 1324.
Marigo, M., Fielenbach, D. G., Braunton, A. & Jørgensen, K. A. (2005). Enantioselective Formation of Stereogenic Carbon-Fluorine Centers by a Simple Catalytic Method. Angewandte Chemie International Edition, 44, 3703.
Zhuang, W., Hazell, R. G. & Jørgensen, K. A. (2005). Enantioselective Friedel-Crafts Type Addition of Indols to Nitroolefins using a Chiral Hydrogen-Bonding Catalyst - Synthesis of Optically Active Tetrahydro-&beta-Carbolines. Organic & Biomolecular Chemistry, 3, 2566.
Poulsen, T. B., Alemparte Gallardo, C. & Jørgensen, K. A. (2005). Enantioselective Organocatalytic Allylic Amination. Journal of the American Chemical Society, 127, 116114.
Marigo, M., Wabnitz, T. C., Fielenbach, D. G. & Jørgensen, K. A. (2005). Enantioselective Organocatalytic &alpha-Sulfenylation of Aldehydes. Angewandte Chemie International Edition, 44, 794.
Jensen, F. (2005). Estimating the Hartree - Fock limit from finite basis set calculations. Theoretical Chemistry Accounts, 113(5), 267-273. https://doi.org/10.1007/s00214-005-0635-2
Hansen, A. L. & Skrydstrup, T. (2005). Fast and Regioselective Heck Couplings with N-Acyl-N-vinylamine Derivatives. J. Org. Chem., 70, 5997-6003.
Nielsen, M., Thomsen, A. H., Jensen, T. R., Jakobsen, H. J., Skibsted, J. & Gothelf, K. V. (2005). Formation and Structure of Conjugated Salen-Cross-Linked Polymers and Their Application in Asymmetric Heterogeneous Catalysis. European Journal of Organic Chemistry, 342-347.
Høst, S., Jørgensen, P., Köhn, A., Pawlowski, F., Klopper, W. & Hättig, C. (2005). Frequency-dependent hyperpolarizabilities of the Ne, Ar, and Kr atoms using the approximate coupled cluster triples model CC3. Journal of Chemical Physics, 123, 094303-1-10.
Glasius, M., Christensen, J. H., Platz, J. & Vorkamp, K. (2005). Halogenated organic contaminants in marine fish and mussels from southern Greenland - pilot study on relations to trophic levels and local sources. Journal of Environmental Monitoring, 7(2), 127-131. https://doi.org/10.1039/B411959B

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Department of Chemistry