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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Miiller, W., Christensen, M., Khan, A., Sharma, N., Macquart, R. B., Avdeev, M., McIntyre, G. J., Piltz, R. O. & Ling, C. D. (2011). YCa3(VO)3(BO3)4: A Kagomé Compound Based on Vanadium(III) with a Highly Frustrated Ground State. Chemistry of Materials, 23(5), 1315-1322. https://doi.org/10.1021/cm1034003
Lindhardt, A. T., Gøgsig, T., Gauthier, D., Lupp, D., Bjerglund, K. M. & Skrydstrup, T. (2010). 2-Pyridyl Tosylate Derivatives—Building Blocks for Structural Diversity via Transition Metal Catalysis. Israel Journal of Chemistry, 50(5-6), 558-567. https://doi.org/10.1002/ijch.201000031
Kristensen, M. V. G., Lindballe, T. B., Kylling, A. P., Palima, D., Glückstad, J., Keiding, S. R. & Stapelfeldt, H. (2010). 3D characterization of the forces in optical traps based on counter-propagating beams shaped by a spatial light modulator. I SPIE Proceedings (Bind 7762) https://doi.org/10.1117/12.866479
Kramer, S., Madsen, J. L. H., Rottländer, M. & Skrydstrup, T. (2010). Access to 2,5-diamidopyrroles and 2,5-diamidofurans by Au(I)-catalyzed double hydroamination or hydration of 1,3-diynes. Organic Letters, 12(12), 2758-2761. https://doi.org/10.1021/ol1008685
Teale, A. M., Coriani, S. & Helgaker, T. (2010). Accurate calculation and modeling of the adiabatic connection in density functional theory. Journal of Chemical Physics, 132, 164115 .
Palmer, D. S., Sergiievskyi, V. P., Jensen, F. & Fedorov, M. V. (2010). Accurate calculations of the Hydration Free Energies of Drug-like Molecules using the Reference Interaction Site Model. Journal of Chemical Physics, 133, 044104-1 - 044104-11.
Jiang, H., Paixao, M. W., Monge, D. & Jørgensen, K. A. (2010). Acyl Phosphonates: Good Hydrogen Bond-Acceptors and Ester/Amide Equivalents in Asymmetric Organocatalysis. Journal of the American Chemical Society, 132, 2775.
Bodvik, R., Dedinaite, A., Karlson, L., Bergström, M., Bäverbäck, P. M., Pedersen, J. S., Edwards, K., Karlsson, G., Varga, I. & Claesson, P. M. (2010). Aggregation and network formation of aqueous methylcellulose and hydroxypropylmethylcellulose solutions. Colloids and Surfaces A: Physicochemical and Engineering Aspects, 354, 162-171. https://doi.org/10.1016/j.colsurfa.2009.09.040
Jespersen, K. G., Le, T., Grüner-Nielsen, L. E., Jakobsen, D., Pederesen, M. E. V., Smedemand, M. B., Keiding, S. R. & Palsdottir, B. (2010). A higher-order-mode fiber delivery for Ti:Sapphire femtosecond lasers. Optics Express, 18(8), 7798-7806.
Becker-Christensen, J., Toft, L. L., Aarup, D. F., Villadsen, S. R., Glasius, M., Iversen, S. B. & Iversen, B. B. (2010). A High Temperature, High Pressure Facility for Controlled Studies of Catalytic Activity under Hydrothermal Conditions. Energy & Fuels, 2737-2746. https://doi.org/10.1021/ef901584t
Hansen, M. B., Seidler, P., Gyorffy, W. & Christiansen, O. (2010). A Lanczos--chain Driven Approach for Calculating Damped Vibrational Configuration Interaction Response Functions. Journal of Chemical Physics, 133, 114102. https://doi.org/10.1063/1.3467889
Ferrighi, L., Madsen, G. K. H. & Hammer, B. (2010). Alkane dimers interaction: A semi-local MGGA functional study. Chemical Physics Letters, 492(1-3), 183–186. https://doi.org/10.1016/j.cplett.2010.04.034
Pedersen, M. Ø., Linnanto, J., Frigaard, N.-U., Nielsen, N. C. & Miller, M. (2010). A model of the protein-pigment baseplate complex in chlorosomes of photosynthetic green bacteria. Photosynthesis Research, 104(2-3), 233-243. https://doi.org/10.1007/s11120-009-9519-y
Otzen, D. E. (2010). Amyloid formation in surfactants and alcohols: membrane mimetics or structural switchers? Current protein & peptide science, 11(5), 355-71.
Pedersen, J. S., Andersen, C. B. & Otzen, D. (2010). Amyloid structure--one but not the same: the many levels of fibrillar polymorphism. FEBS journal, 277(22), 4591-4601. https://doi.org/10.1111/j.1742-4658.2010.07888.x
Giehm, L., Dal Degan, F., Fraser, P., Klysner, S. & Otzen, D. E. (2010). An Aß concatemer with altered aggregation propensities. BBA General Subjects, 1804(10), 2025-35. https://doi.org/10.1016/j.bbapap.2010.06.023
Jensen, F. (2010). An Atomic Counterpoise Method for Estimating Inter- and Intra-molecular Basis Set Superposition Errors. Journal of Chemical Theory and Computation, 6, 100-108.
Coriani, S., Kjærgaard, T., Jørgensen, P., Ruud, K., Huh, J. & Berger, R. (2010). An Atomic-Orbital-Based Lagrangian Approach for Calculating Geometric Gradients of Linear Response Properties. Journal of Chemical Theory and Computation, 6, 1028-1047.
Christensen, A. N., Jensen, T. R. & Nonat, A. (2010). A new calcium sulfate hemi-hydrate. Dalton Transactions , 39(8), 2044-2048. https://doi.org/10.1039/B913648G
Jensen, G. V., Bremholm, M., Lock, N., Deen, R., Jensen, T. R., Iversen, B. B., Niederberger, M., Pedersen, J. S. & Birkedal, H. (2010). Anisotropic Crystal Growth Kinetics of Anatase TiO2 Nanoparticles Synthesized in a Nonaqueous Medium. Chemistry of Materials, 22, 6044-6055.
Jensen, K. L., Franke, P. T., Nielsen, L. T., Daasbjerg, K. & Jørgensen, K. A. (2010). Anodic Oxidation and Organocatalysis: Direct Regio- and Stereoselective Access to meta-Substituted Anilines by α-Arylation of Aldehydes. Angewandte Chemie International Edition, 49, 129.
Albrecht, L., Ransborg, L. K., Gschwend, B. & Jørgensen, K. A. (2010). An Organocatalytic Approach to 2-Hydroxyalkyl- and 2-Aminoalkyl Furanes. Journal of the American Chemical Society, 132, 17886.
Subramani, R., Jensen, S. J., Rotaru, A., Andersen, F. F., Gothelf, K. V., Mamdouh, W., Besenbacher, F., Dong, M. & Knudsen, B. R. (2010). A Novel Secondary DNA Binding Site in Human Topoisomerase I Unravelled by using a 2D DNA Origami Platform. A C S Nano, 4, 5969-77.
Arian, D., Clo, E., Gothelf, K. V. & Mokhir, A. (2010). A Nucleic Acid Dependent Chemical Photocatalysis in Live Human Cells. Chemistry - A European Journal, 16(1), 288-295.
Holub, N., Jiang, H., Paixao, M. W., Tiberi, C. & Jørgensen, K. A. (2010). An Unexpected Michael-Aldol-Smiles-Rearrangement Sequence for the Synthesis of Versatile Optically Active Bicyclic Structures using Asymmetric Organocatalysis. Chemistry - A European Journal, 16, 4337.
Sneskov, K., Gras, E. M., Kongsted, J. & Christiansen, O. (2010). Approximate inclusion of triple excitations in combined coupled cluster/molecular mechanics: Calculations of electronic excitation energies in solution for acrolein, water, formamide, and n-methylacetamide. Journal of Chemical Theory and Computation, 6(3), 839-850. https://doi.org/10.1021/ct900641w
Sørensen, L. K., Fleig, T. & Olsen, J. (2010). A Relativistic Four- and Two-component Generalized-active-space Coupled Cluster Method. Zeitschrift für Physikalische Chemie: International journal of research in physical chemistry and chemical physics, 224(3-4), 671-680.
Kläning, U., Lund, T., Lund, H., Pedersen, S. U. & Daasbjerg, K. (2010). Are the reactions between metal cyanides and benzenediazonium ions really outer-sphere electron transfer processes? Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 114, 6575-6585.
Nielsen, T. K., Bösenberg, U., Gosalawit, R., Dornheim, M., Cerenius, Y., Besenbacher, F. & Jensen, T. R. (2010). A Reversible Nanoconfined Chemical Reaction. A C S Nano, 4(7), 3903.
Maximov, I. I., Salomon, J., Turinici, G. & Nielsen, N. C. (2010). A smoothing monotonic convergent optimal control algorithm for nuclear magnetic resonance pulse sequence design. Journal of Chemical Physics, 132(8). https://doi.org/10.1063/1.3328783
Giehm, L., Lorenzen, N. & Otzen, D. E. (2010). Assays for α-synuclein aggregation. Methods. https://doi.org/10.1016/j.ymeth.2010.12.008
Jakobsen, H. J., Bildsøe, H. K., Skibsted, J., Brorson, M., Gor'kov, P. & Gan, Z. (2010). A strategy for acquisition and analysis of complex natural-abundance 33S solid-state NMR spectra of a disordered tetrathio transition-metal anion. Journal of Magnetic Resonance, 202, 173-179. https://doi.org/10.1016/j.jmr.2009.11.001
Albrecht, L., Jiang, H., Dickmeiss, G., Gschwend, B., Hansen, S. G. & Jørgensen, K. A. (2010). Asymmetric Formal trans-Dihydroxylation and trans-Aminohydroxylation of alpha, beta-Unsaturated Aldehdes via an Organocatalytic Reaction Cascade. Journal of the American Chemical Society, 132, 9188.
Monge, D., Jensen, K. L., Franke, P. T., Lykke, L. & Jørgensen, K. A. (2010). Asymmetric One-Pot Sequential Organo- and Gold Catalysis for the Enantioselective Synthesis of Dihydropyrrole Derivatives. Chemistry - A European Journal, 16(31), 9478-9484.
Albrecht, L., Albrecht, A., Krawczyk, H. & Jørgensen, K. A. (2010). Asymmetric Organocatalysis with Organophosphorus Compounds. Chemistry - A European Journal, 16, 28.
Nielsen, M., Jacobsen, C. B., Holub, N., Paixao, M. W. & Jørgensen, K. A. (2010). Asymmetric Organocatalysis with Sulfones. Angewandte Chemie International Edition, 48, 2668.
Lykke, L., Monge, D., Nielsen, M. & Jørgensen, K. A. (2010). Asymmetric Organocatalytic Formal aza-Michael Addition of Ammonia to Nitroalkenes. Chemistry - A European Journal, 16, 13330.
Jeppesen, M. D., Hein, K., Nissen, P., Westh, P. & Otzen, D. E. (2010). A thermodynamic analysis of fibrillar polymorphism. Advances in Biophysical Chemistry, 149(1-2), 40-6. https://doi.org/10.1016/j.bpc.2010.03.016
Johnsen, S., Christensen, M., Thomsen, B., Madsen, G. K. H. & Iversen, B. B. (2010). Barium dynamics in noble-metal clathrates. Physical Review B, 82(18), 184303. https://doi.org/10.1103/PhysRevB.82.184303
Nielsen, S. B., Franzmann, M., Basaiawmoit, R. V., Wimmer, R., Mikkelsen, J. D. & Otzen, D. E. (2010). beta-Sheet aggregation of kisspeptin-10 is stimulated by heparin but inhibited by amphiphiles. Biopolymers, 93(8), 678-89. https://doi.org/10.1002/bip.21434
Sinning, S., Musgaard, M., Jensen, M., Severinsen, K., Celik, L., Koldsoe, H., Meyer, T., Bols, M., Jensen, H. H., Schiøtt, H. B. & Wiborg, O. (2010). Binding and Orientation of Tricyclic Antidepressants within the Central Substrate Site of the Human Serotonin Transporter. Journal of Biological Chemistry, 285(11), 8363-8374. https://doi.org/10.1074/jbc.M109.045401
Mi, J., Lock, N., Sun, T., Christensen, M., Søndergaard, M., Hald, P., Hng, H. H., Ma, J. & Iversen, B. B. (2010). Biomolecule-Assisted Hydrothermal Synthesis and Self-Assembly of Bi2Te3 Nanostring-Cluster Hierarchical Structure. A C S Nano, 4(5), 2523–2530.
Claesson, P. M., Makuska, R., Varga, I., Meszaros, R., Titmuss, S., Linse, P., Pedersen, J. S. & Stubenrauch, C. (2010). Bottle-brush polymers: adsorption at surfaces and interactions with surfactants. Advances in Colloid and Interface Science, 155(1-2), 50-57. https://doi.org/10.1016/j.cis.2010.01.004
Palmer, D. S., Christensen, A. U., Sørensen, J., Celik, L., Qvist, K. B. & Schiøtt, H. B. (2010). Bovine Chymosin: A Computational Study of Recognition and Binding of Bovine κ-Casein. Biochemistry, 49, 2563–2573. https://doi.org/10.1021/bi902193u
Bjerring, M., Nielsen, A. B., Tosner, Z. & Nielsen, N. C. (2010). Broadband heteronuclear dipolar recoupling without 1H decoupling in solid-state NMR using simple cross-polarization methods. Chemical Physics Letters, 494(4-6), 326-330. https://doi.org/10.1016/j.cplett.2010.06.018
Nielsen, A. B., Straasø, L. A., Nieuwkoop, A. J., Rienstra, C. M., Bjerring, M. & Nielsen, N. C. (2010). Broadband Heteronuclear Solid-State NMR Experiments by Exponentially Modulated Dipolar Recoupling without Decoupling. The Journal of Physical Chemistry Letters, 1((13)), 1952-1958.
Moesgaard, M., Herfort, D., Skibsted, J. & Yue, Y. (2010). Calcium aluminosilicate glasses as supplementary cementitious materials. Glass Technology-European Journal of Glass Science and Technology Part A, 51(5), 183-190.
Pedersen, B. L., Yin, H., Birkedal, H., Nygren, M. & Iversen, B. B. (2010). Cd Substitution in MxZn4--xSb3: Effect on Thermal Stability, Crystal Structure, Phase Transitions, and Thermoelectric Performance. Chemistry of Materials, 22, 2375-2383.
Debnath, D. K. & Otzen, D. E. (2010). Cell-free synthesis and folding of transmembrane OmpA reveals higher order structures and premature truncations. Advances in Biophysical Chemistry, 152(1-3), 80-8. https://doi.org/10.1016/j.bpc.2010.08.003
Vosegaard, T. (2010). Challenges in Numerical Simulations of Solid-State NMR Experiments: Spin Exchange Pulse Sequences. Solid State Nuclear Magnetic Resonance, 38. https://doi.org/10.1016/j.ssnmr.2011.01.002

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Institut for Kemi