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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Rinza, T. R., Sneskov, K., Christiansen, O., Ryde, U. & Kongsted, J. (2011). Unraveling the similarity of the photoabsorption of deprotonated p-coumaric acid in the gas phase and within the photoactive yellow protein. Physical Chemistry Chemical Physics, 13, 1585-1589. https://doi.org/10.1039/C0CP01075H
Ceccato, M., Bousquet, A., Hinge, M., Pedersen, S. U. & Daasbjerg, K. (2011). Using a Mediating Effect in the Electroreduction of Aryldiazonium Salts To Prepare Conducting Organic Films of High Thickness. Chemistry of Materials, 23, 1551-1557.
Coriani, S., Thorvaldsen, A. J., Kristensen, K. & Jørgensen, P. (2011). Variational Response-function Formulation of Vibrational Circular Dichroism. Physical Chemistry Chemical Physics, 13, 4224-4229. https://doi.org/10.1039/C0CP02230F
Hansen, M. B. & Christiansen, O. (2011). Vibrational contributions to cubic response functions from vibrational configuration interaction response theory. Journal of Chemical Physics, 135(15), 154107. http://link.aip.org/link/?JCP/135/154107
Seidler, P., Sparta, M. & Christiansen, O. (2011). Vibrational coupled cluster response theory: A general implementation. Journal of Chemical Physics, 134, 054119–15.
Nielsen, J. B., Thøgersen, J., Jensen, S. K. & Keiding, S. R. (2011). Vibrational dynamics of deoxyguanosine 5[prime or minute]-monophosphate following UV excitation. Physical Chemistry Chemical Physics, 13(30), 13821-13826. https://doi.org/10.1039/C1CP20918C
Toffoli, D., Sparta, M. & Christiansen, O. (2011). Vibrational spectroscopy of hydrogen-bonded systems: Six-dimensional simulation of the IR spectrum of F-(H2O) complex. Chemical Physics Letters, 510(1-3), 36–41.
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
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.
Weidner, T., Zharnikov, M., Hoßbach, J., Castner, D. G. & Siemeling, U. (2010). Adamantane-based tripodal thioether ligands functionalized with a redox-active ferrocenyl moiety for self-assembled monolayers. Journal of Physical Chemistry C, 114(35), 14975-14982. https://doi.org/10.1021/jp104376p
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
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
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
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.
Rissler, J., Svenningsson, B., Fors, E. O., Bilde, M. & Swietlicki, E. (2010). An evaluation and comparison of cloud condensation nucleus activity models: Predicting particle critical saturation from growth at subsaturation. Journal of Geophysical Research: Atmospheres. https://doi.org/10.1029/2010JD014391
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
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
Weidner, T., Samuel, N. T., McCrea, K., Gamble, L. J., Ward, R. S. & Castner, D. G. (2010). Assembly and structure of α-helical peptide films on hydrophobic fluorocarbon surfaces. Biointerphases, 5(1), 9-16. https://doi.org/10.1116/1.3317116
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.
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
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
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.
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
Richardson, I., Skibsted, J., Black, L. & Kirkpatrick, R. J. (2010). Characterization of cement hydrate phases by TEM, NMR and Raman spectroscopy. Advances in Cement Research, 22(4), 233-248.
Jensen, M., Bjerring, M., Nielsen, N. C. & Nerdal, W. (2010). Cisplatin interaction with phosphatidylserine bilayer studied by solid-state NMR spectroscopy. Journal of Biological Inorganic Chemistry, 15(2), 213-223. https://doi.org/10.1007/s00775-009-0586-5

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Institut for Kemi