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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Jensen, R. L., Arnbjerg, J. & Ogilby, P. R. (2010). Temperature Effects on the Solvent-Dependent Deactivation of Singlet Oxygen. Journal of the American Chemical Society, 132, 8098-8105.
Petersen, S. V., Thøgersen, I., Valnickova, Z., Nielsen, M. S., Petersen, J. S., Poulsen, E. T., Jacobsen, C., Oury, T. D., Moestrup, S. K., Crapo, J. D., Nielsen, N. C., Kristensen, T. & Enghild, J. J. (2010). The concentration of extracellular superoxide dismutase in plasma is maintained by LRP-mediated endocytosis. Free Radical Biology & Medicine, 49(5), 894-9. https://doi.org/10.1016/j.freeradbiomed.2010.06.019
Åkesson, A., Bendtsen, K. M., Behrens, M. A., Pedersen, J. S., Alfredsson, V. & Cárdenas Gómez, M. (2010). The effect of PAMAM G6 dendrimers on the structure of lipid vesicles. Physical chemistry chemical physics : PCCP, 12(38), 12267-72. https://doi.org/10.1039/c0cp00172d
Jensen, S. K., Keiding, S. R. & Thøgersen, J. (2010). The hunt for CHO(aq). Physical Chemistry Chemical Physics, 12, 8926-8933.
Jensen, F. (2010). The Optimum Contraction of Basis Sets for Calculating Spin-Spin Coupling Constants. Theoretical Chemistry Accounts, 126, 371-382. https://doi.org/10.1007/s00214-009-0699-5
Ravnsbæk, D., Filinchuk, Y., Cerny, R., Ley, M. B., Haase, D., Jakobsen, H. J., Skibsted, J. & Jensen, T. R. (2010). Thermal Polymorphism and Decomposition of Y(BH4)3. Inorganic Chemistry, 49, 3801-3809.
Yin, H., Christensen, M., Pedersen, B. L., Nishibori, E., Aoyagi, S. & Iversen, B. B. (2010). Thermal Stability of Thermoelectric Zn4Sb3. Journal of Electronic Materials, 39(9), 1957-1959. https://doi.org/10.1007/s11664-009-1053-3
Foverskov, M. F. M., Zardini, A. A., Platt, S. M., Müller, L., Reinnig, M. C., Hoffmann, T. & Bilde, M. (2010). Thermodynamic properties and cloud droplet activation of series of oxo-acids. Atmospheric Chemistry and Physics, 10, 5873-5890. https://doi.org/:10.5194/acp-10-5873-2010
Stiewe, C., Dasgupta, T., Böttcher, L., Pedersen, B. L., Müller, E. & Iversen, B. B. (2010). Thermoelectric Characterization of Zone-Melted and Quenched Zn4Sb3. Journal of Electronic Materials, 39(9), 1975-1980. https://doi.org/10.1007/s11664-009-1044-4
Christensen, M., Johnsen, S. & Iversen, B. B. (2010). Thermoelectric clathrates of type I. Dalton Transactions , 39(4), 978-992.
Pedersen, S. M., Nielsen, N. C., Andersen, H. J., Olsson, J., Simrén, M., Öhman, L., Svensson, U., Malmendal, A. & Bertram, H. C. (2010). The Serum Metabolite Response to Diet Intervention with Probiotic Acidified Milk in Irritable Bowel Syndrome Patients is indistiguishanble from that of Non-Probiotic Acidified Milk by 1H NMR-based Metabonomic Analysis. Nutrients, 2, 1141-1155.
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.
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.
Campbell, C. J., Mountford, C. P., Stoquert, H. C., Buck, A. H., Dickinson, P., Ferapontova, E., Terry, J. G., Beattie, J. S., Walton, A. J., Crain, J., Ghazal, P. & Mount, A. R. (2009). A DNA nanoswitch incorporating the fluorescent base analogue 2-aminopurine detects single nucleotide mismatches in unlabelled targets. Analyst, 134(9), 1873-1879. https://doi.org/10.1039/B900325H, https://doi.org/10.1039/b900325h
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
Weidner, T., Breen, N. F., Drobny, G. P. & Castner, D. G. (2009). Amide or Amine: Determining the Origin of the 3300 cm-1 NH Mode in Protein SFG Spectra Using 15N Isotope Labels. Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, 113(47), 15423-15426. https://doi.org/10.1021/jp908773c
Baio, J. E., Weidner, T., Brison, J., Graham, D. J., Gamble, L. J. & Castner, D. G. (2009). Amine terminated SAMs: Investigating why oxygen is present in these films. Journal of Electron Spectroscopy and Related Phenomena, 172(1-3), 2-8. https://doi.org/10.1016/j.elspec.2009.02.008
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.
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
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.
Breen, N. F., Weidner, T., Li, K., Castner, D. G. & Drobny, G. P. (2009). A Solid-State Deuterium NMR and Sum-Frequency Generation Study of the Side-Chain Dynamics of Peptides Adsorbed onto Surfaces. Journal of the American Chemical Society, 131(40), 14148-14149. https://doi.org/10.1021/ja905382m
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.
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

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Department of Chemistry