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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Koldsø, H., Severinsen, K., Tran, T. T., Celik, L., Jensen, H. H., Wiborg, O., Schiøtt, B. & Sinning, S. (2010). The two enantiomers of citalopram bind to the human serotonin transporter in reversed orientations. Journal of the American Chemical Society, 132(4), 1311-22. https://doi.org/10.1021/ja906923j
Koldsø, H., Severinsen, K., Tran, TT., Celik, L., Jensen, H. H., Wiborg, O., Schiøtt, B. & Sinning, S. (2010). The two enantiomers of citalopram bind to the human serotonin transporterin reverse orientations. Journal of American Chemical Society, 132(4), 1311-22.
Clausen, H. F., Chevallier, M.-A. S., Spackman, M. & Iversen, B. B. (2010). Three new co-crystals of hydroquinone: crystal structures and Hirshfeld surface analysis of intermolecular interactions. New Journal of Chemistry. https://doi.org/10.1039/b9nj00463g
Prüger, B., Hofmeister, G., Jacobsen, C. B., Alberg, D., Nielsen, M. & Jørgensen, K. A. (2010). Transition Metal-free Formal Sonogashira Coupling and alpha-Carbonyl Arylation Recations. Chemistry - A European Journal, 16, 3783.
Bomholdt Ravnsbæk, D. & Jensen, T. R. (2010). Tuning hydrogen storage properties and reactivity: Investigation of the LiBH4-NaAlH4 system. Journal of Physics and Chemistry of Solids, 71, 1144-1149.
Pedersen, B. W., Breitenbach, T., Redmond, R. W. & Ogilby, P. R. (2010). Two-Photon Irradiation of an Intracellular Singlet Oxygen Photosensitizer: Achieving Localized Sub-Cellular Excitation in Spatially-Resolved Experiments. Free Radical Research, 44, 1383-1397.
Sparta, M., Hansen, M. B., Gras, E. M., Toffoli, D. & Christiansen, O. (2010). Using Electronic Energy Derivative Information in Automated Potential Energy Surface Construction for Vibrational Calculations. Journal of Chemical Theory and Computation, 6, 3162-3175.
Jensen, T. R., Nielsen, T. K., Filinchuk, Y., Jørgensen, J.-E., Cerenius, Y., MacA. Gray, E. & J. Webb, C. (2010). Versatile in situ powder X-ray diffraction cells for solid-gas investigations. Journal of Applied Crystallography, 43, 1456-1463. https://doi.org/10.1107/S0021889810038148
Seidler, P., Hansen, M. B., Gyorffy, W., Toffoli, D. & Christiansen, O. (2010). Vibrational absorption spectra calculated from vibrational configuration interaction response theory using the Lanczos method. Journal of Chemical Physics, 132(16), 164105.
Hansen, M. N., Zhang, A. M., Rangnekar, A., Bompiani, K. M., Carter, J. D., Gothelf, K. V. & LaBean, T. H. (2010). Weave Tile Architecture Construction Strategy for DNA Nanotechnology. Journal of the American Chemical Society, 132, 14481-14486.
Smith, D., Stork, B., Wegener, G., Ashkanian, M., Jakobsen, S., Bender, D., Audrain, H., Vase, K., Videbech, P. & Rosenberg, R. (2009). [(11)C]Mirtazapine binding in depressed antidepressant nonresponders studied by PET neuroimaging. Psychopharmacology, 206, 133-140. https://doi.org/10.1007/s00213-009-1587-3
Jiang, H., Elsner, P., Jensen, K. L., Falcicchio, A., Falcicchio, A., Marcos, V. & Jørgensen, K. A. (2009). Achieving Molecular Complexity by Organocatalytic One-Pot Strategies - A Fast Entry for De Novo Synthesis of Sphingoids, Amino Sugars and Polyhydroxylated α-Amino Acids. Angewandte Chemie International Edition, 48, 6844.
Madsen, C. B., Madsen, L. B., Viftrup, S., Johansson, M. P., Poulsen, T. B., Holmegaard, L., Kumarappan, V., Jørgensen, K. A. & Stapelfeldt, H. (2009). A combined experimental and theoretical study on realizing and using laser controlled torsion of molecules. Journal of Chemical Physics, 130(234310). https://doi.org/10.1063/1.3149789
Madsen, S. & Jensen, F. (2009). A Comparison of Algorithms for Large-Scale Constrained Optimization. Theoretical Chemistry Accounts, 123, 477-485.
Hissi, E. G. V., Martinez, J. C. G., Zamarbide, G. N., Estrada, M. R., Jensen, S. K., Tomas-Vert, F. & Csizmadia, I. G. (2009). A full conformational space analysis of Bilirubin. Journal of Molecular Structure: THEOCHEM, 911(1-3), 24-29.
Gras, E. M., Toffoli, D. & Christiansen, O. (2009). A hierarchy of potential energy surfaces constructed from energies end energy derivatives calculated on grids. Journal of Chemical Physics, 130(13).
Wang, X.-S., Ma, S., Yuan, D., Yoon, J. W., Hwang, Y. K., Chang, J.-S., Wang, X., Jørgensen, M. R. V., Chen, Y.-S. & Zhou, H.-C. (2009). A Large-Surface-Area Boracite-Network-Topology Porous MOF Constructed from a Conjugated Ligand Exhibiting a High Hydrogen Uptake Capacity. Inorganic Chemistry, 48, 7519-7521.
Gauthier, D., Beckendorf, S., Gøgsig, T., Lindhardt, A. T. & Skrydstrup, T. (2009). A Ligand Free and Room Temperature Protocol for Pd-Catalyzed Kumada-Corriu Couplings of Unactivated Alkenyl Phosphates. Journal of Organic Chemistry, 74, 3536.
Pedersen, C. T., Jensen, F. & Flammang, R. (2009). Alkoxy Isothiocyanates as Intermediates in the Flash Vacuum Pyrolysis of Alkoxythioureas. Australian Journal of Chemistry, (62), 69-74. https://doi.org/10.1071/CH08406
Lagerlund, O., Mantel, M. L. H. & Larhed, M. (2009). Aminocarbonylations of alkenyl phosphates, chlorides, bromides, and triflates with Mo(CO)6 as a solid CO source. Tetrahedron, 65(36), 7646–7652. https://doi.org/10.1016/j.tet.2009.06.101
Sparta, M., Toffoli, D. & Christiansen, O. (2009). An Adaptive Density-Guided Approach for the Generation of Potential Energy Surfaces of Polyatomic Molecules. Theoretical Chemistry Accounts, 123(5-6), 413-429.
Thorvaldsen, A. J., Ferrighi, L., Ruud, K., Ågren, H., Coriani, S. & Jørgensen, P. (2009). Analytic ab initio calculations of coherent anti-Stokes Raman scattering (CARS). Physical Chemistry Chemical Physics, 11, 2293-2304.
Jacobsen, C. B., Lykke, L., David, M., Nielsen, M., Ransborg, L. K. & Jørgensen, K. A. (2009). An asymmetric organocatalytic approach towards allylic amines and beta-keto amino compounds. Chemical Communications, 43, 6554-6556.
Hjørringgaard, C. U., Pedersen, J. M., Vosegaard, T., Nielsen, N. C. & Skrydstrup, T. (2009). An automatic solid-phase synthesis of peptaibols. Journal of Organic Chemistry, 74, 1329–1332.
Fors, B. P., Dooleweerdt, K., Zeng, Q. & Buchwald, S. L. (2009). An efficient system for the Pd-catalyzed cross-coupling of amides and aryl chlorides. Tetrahedron, 65(33), 6576.
Sahlberg, M., Beran, P., Nielsen, T. K., Cerenius, Y., Kadas, K., P.J. Punkkinen, M., Vitos, L., Eriksson, O., Jensen, T. R. & Andersson, Y. (2009). A new material hydrogen storage; ScAl0.8Mg0.2. Journal of Solid State Chemistry, 182(11), 3113-3117.
Knaapila, M., Svensson, C., Barauskas, J., Zackrisson, M., Nielsen, S. S., Toft, K. N., Vestergaard, B., Arleth, L., Olsson, U., Pedersen, J. S. & Cerenius, Y. (2009). A new small-angel X-ray scattering set-up on the crystallographic beamline 1711 at MAX-lab. Journal of Synchrotron Radiation, 16, 498-504.
Nielsen, S., Pedersen, C. M., Hansen, S. G., Petersen, M. D., Sinning, S., Wiborg, O., Jensen, H. H. & Bols, M. (2009). An extended study of dimeric phenyl tropanes. Bioorganic & Medicinal Chemistry, 17(14), 4900-9. https://doi.org/10.1016/j.bmc.2009.06.007
Karim, A. Y., Kulczycka, M., Kantyka, T., Dubin, G., Jabaiah, A., Daugherty, P. S., Thogersen, I. B., Enghild, J. J., Nguyen, K.-A. & Potempa, J. (2009). A novel matrix metalloprotease-like enzyme (karilysin) of the periodontal pathogen Tannerella forsythia ATCC 43037. Biological Chemistry. https://doi.org/10.1515/BC.2010.009
Dooleweerdt, K., Ruhland, T. & Skrydstrup, T. (2009). Application of Ynamides in the Synthesis of 2-Amidoindoles. Organic Letters, 11(1), 221-224.
Eltzholtz, J. R. & Birkedal, H. (2009). Architecture of the Biomineralized Byssus of the Saddle Oyster (Anomia sp). Journal of Adhesion, 85, 590-600.
Ravnsbæk, D., Filinchuk, Y., Cerenius, Y., Jakobsen, H. J., Besenbacher, F., Skibsted, J. & Jensen, T. R. (2009). A series of mixed-metal borohydrides. Angewandte Chemie International Edition, 48, 6659-6663.
Poulsen, A. L., Pedersen, L. H., Hvas, A.-M., Poulsen, L. H., Thykjaer, H. & Ingerslev, J. (2009). Assay discrepancy in mild haemophilia A: entire population study in a National Haemophilia Centre. Haemophilia, 15(1), 285-9. https://doi.org/10.1111/j.1365-2516.2008.01899.x
Jansik, B., Høst, S., Johansson, M. P., Olsen, J., Jørgensen, P. & Helgaker, T. (2009). A stepwise atomic valence-molecular, and full-molecular optimisation of the Hartree-Fock/Kohn-Sham energy. Physical Chemistry Chemical Physics, 11(27), 5805-5813.
Nielsen, M., Jacobsen, C. B., Paixao, M. W., Holub, N. & Jørgensen, K. A. (2009). Asymmetric Organocatalytic Formal Alkynylation and Alkenylation of α,β-Unsaturated Aldehydes. Journal of the American Chemical Society, 131(30), 10581-10586.
Hansen, M. B., Christiansen, O. & Hättig, C. (2009). Automated calculation of anharmonic vibrational contributions to first hyperpolarizabilities: Quadratic response functions from vibrational configuration interaction wave functions. Journal of Chemical Physics, 131(15).
Seidler, P. & Christiansen, O. (2009). Automatic derivation and evaluation of vibrational coupled cluster theory equations. Journal of Chemical Physics, 131(23).
Huynh, T. H. V., Mantel, M., Mikkelsen, K., Lindhardt, A. T., Nielsen, N. C., Otzen, D. & Skrydstrup, T. (2009). A Versatile Approach to β-Amyloid Fibril-Binding Compounds Exploiting the Shirakawa/Hayashi Protocol for trans-Alkene Synthesis. Organic Letters, 11, 999-1002.
Hansen, M. H., Blakskjær, P., Petersen, L. K., Hansen, T. H., Højfeldt, J. W., Gothelf, K. V. & Hansen, N. J. V. (2009). A yoctoliter-scale DNA reactor for small-molecule evolution. Journal of the American Chemical Society, 131(3), 1322-1327.
Valnickova, Z., Thaysen-Andersen, M., Højrup, P., Christensen, T., Sanggaard, K. W., Kristensen, T. & Enghild, J. J. (2009). Biochemical characterization of bovine plasma thrombin-activatable fibrinolysis inhibitor (TAFI). BMC Biochemistry, 10, 13. https://doi.org/10.1186/1471-2091-10-13
Søbjerg, L. S., Gauthier, D., Lindhardt, A. T., Bunge, M., Finster, K., Meyer, R. L. & Skrydstrup, T. (2009). Bio-supported palladium nanoparticles as a catalyst for Suzuki-Miyaura and Mizoroki-Heck reactions. Green Chemistry, 11, 2041-2046. https://doi.org/10.1039/b918351p
Beyschau Andersen, C., Yagi, H., Manno, M., Martorana, V., Ban, T., Christiansen, G., Otzen, D., Goto, Y. & Rischel, C. (2009). Branching in amyloid fibril growth. Biophysical Journal, 96(4), 1529-36. https://doi.org/10.1016/j.bpj.2008.11.024
Christensen, M., Johnsen, S., Juranyl, F. & Iversen, B. B. (2009). Clathrate guest atoms under pressure. Journal of Physics D: Applied Physics, 105, 073508/1-073508/9.
Taaning, R. H., Lindsay, K., Schiøtt, H. B., Daasbjerg, K. & Skrydstrup, T. (2009). C-N Bond Rotation in N-Acyl Oxazolidinones as the Controlling Factor in Their SmI2-Promoted Coupling to Acrylamides. Journal of the American Chemical Society, 131, 10253-10262.
Nørnberg, P., Vendelboe, A. L., Gunnlaugsson, H. P., Merrison, J. P., Finster, K. & Jensen, S. K. (2009). Comparison of the mineralogical effects of an experimental forest fire on a goethite/ferrihydrite soil with a topsoil that contains hematite, maghemite and goethite. Clay Minerals, 44(2), 239-247. https://doi.org/10.1180/claymin.2009.044.2.239
Toft, L. L., Aarup, D. F., Bremholm, M., Hald, P. & Iversen, B. B. (2009). Comparison of T-piece and concentric mixing systems for continuous flow synthesis of anatase nanoparticles in supercritical isopropanol/water. Journal of Solid State Chemistry, 182, 491-495.
Nielsen, T. K., Manickam, K., Hirscher, M., Besenbacher, F. & Jensen, T. R. (2009). Confinement of MgH2 nanoclusters within nanoporous aerogel scaffold materials. A C S Nano, 3, 3521-3528.
Viftrup, S. S., Kumarappan, V., Holmegaard, L., Bisgaard, C., Stapelfeldt, H., Artamonov, M., Hamilton, E. & Seideman, T. (2009). Controlling the rotation of asymmetric top molecules by the combination of a long and a short laser pulse. Physical Review A, 79(2), 023404. https://doi.org/10.1103/PhysRevA.79.023404
Lehtonen, O., Sundholm, D., Send, R. & Johansson, M. P. (2009). Coupled-cluster and density functional theory studies of the electronic excitation spectra of trans-1,3-butadiene and trans-2-propeniminium. Journal of Chemical Physics, 131(024301). https://doi.org/10.1063/1.3158990
Falconi, M., Oteri, F., Chillemi, G., Andersen, F. F., Tordrup, D. P., Oliveira, C. L. P. D., Pedersen, J. S., Knudsen, B. R. & Desideri, A. (2009). Deciphering the Structural Properties That Confer Stability to a DNA Nanocage. A C S Nano, 3(7).

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Revideret 08.05.2026
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Institut for Kemi