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Institut for Kemi

Publikationer

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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Li, C., Yang, L., Xiao, J., Wu, Y.-C., Søndergaard, M., Luo, Y., Li, D., Meng, Q. & Iversen, B. B. (2013). ZnO nanoparticle based highly efficient CdS/CdSe quantum dot-sensitized solar cells. Physical Chemistry Chemical Physics, 15(22), 8710-8715. https://doi.org/10.1039/c3cp50365h

Gosalawit-Utke, R., Nielsen, T. K., Pranzas, K., Saldan, I., Pistidda, C., Karimi, F., Laipple, D., Skibsted, J., Jensen, T. R., Klassen, T. & Dornheim, M. (2012). 2LiBH₄–MgH₂ in a Resorcinol–Furfural Carbon Aerogel Scaffold for Reversible Hydrogen Storage. The Journal of Physical Chemistry Part C, 116(1), 1526-1534. https://doi.org/10.1021/jp2088127

Alcantara, K. S., Ramallo-Lopez, J. M., Bösenberg, U., Saldan, I., Pistidda, C., Requejo, F. G., Jensen, T. R., Cerenius, Y., Sørby, M., Avila, J., Bellosta von Colbe, J., Taube, K., Klassen, T. & Dornheim, M. (2012). 3CaH₂ + 4MgB₂ + CaF₂ Reactive Hydride Composite as a Potential Hydrogen Storage Material: Hydrogenation and Dehydrogenation Pathway. The Journal of Physical Chemistry Part C, 116(12), 7207-7212. https://doi.org/10.1021/jp211620h

Jensen, U. B., Lörcher, S., Vagin, M. Y., Chevallier, J., Shipovskov, S., Koroleva, O., Besenbacher, F. & Ferapontova, E. (2012). A 1. 76 V hybrid Zn-O2 biofuel cell with a fungal laccase-carbon cloth biocathode. Electrochimica Acta, 667, 218-226. https://doi.org/10.1016/j.electacta.2011.12.026

Kjærgaard, T., Coriani, S. & Ruud, K. (2012). Ab initio calculation of magnetic circular dichroism. Wiley Interdisciplinary Reviews: Computational Molecular Science, 2(3), 443-455. https://doi.org/10.1002/wcms.1091

Bjerg, L., Madsen, G. K. H. & Iversen, B. B. (2012). Ab initio Calculations of Intrinsic Point Defects in ZnSb. Chemistry of Materials, 24(11), 2111–2116. https://doi.org/10.1021/cm300642t

Larsen, E. K. U., Nielsen, T., Wittenborn, T., Rydtoft, L. M., Lokanathan, A. R., Hansen, L., Østergaard, L., Kingshott, P., Howard, K. A., Besenbacher, F., Nielsen, N. C. & Kjems, J. (2012). Accumulation of magnetic iron oxide nanoparticles coated with variably sized polyethylene glycol in murine tumors. Nanoscale, 4(7), 2352-2361 . https://doi.org/10.1039/C2NR11554A

Loening, N. M., Bjerring, M., Nielsen, N. C. & Oschkinat, H. (2012). A comparison of NCO and NCA transfer methods for biological solid-state NMR spectroscopy. Journal of Magnetic Resonance, 214, 81-90. https://doi.org/10.1016/j.jmr.2011.10.012

Jensen, U. B., Vagin, M. Y., Koroleva, O., Sutherland, D. S., Besenbacher, F. & Ferapontova, E. (2012). Activation of laccase bioelectrocatalysis of O2 reduction to H2O by carbon nanoparticles. Journal of Electroanalytical Chemistry, 667, 11-18. https://doi.org/10.1016/j.jelechem.2011.12.012

Svaneborg, C. & Pedersen, J. S. (2012). A formalism for scattering of complex composite structures. I. Applications to branched structures of asymmetric sub-units. Journal of Chemical Physics, 136(10). https://doi.org/10.1063/1.3682778

Svaneborg, C. & Pedersen, J. S. (2012). A formalism for scattering of complex composite structures. II. Distributed reference points. Journal of Chemical Physics, 136(15). https://doi.org/10.1063/1.3701737

Andersen, K. K., Wang, H. & Otzen, D. (2012). A Kinetic Analysis of the Folding and Unfolding of OmpA in Urea and Guaninidinium Chloride: Single and Parallel Pathways. Biochemistry, 51(42), 8371-8383. https://doi.org/10.1021/bi300974y

Bomholdt Ravnsbæk, D., Ley, M. B., Lee, Y. S., Hagemann, H., D'Anna, V., Cho, Y. W., Filinchuk, Y. & Jensen, T. R. (2012). A mixed-cation mixed-anion borohydride NaY(BH4)2Cl2. International Journal of Hydrogen Energy, 37(10), 8428–8438. https://doi.org/10.1016/j.ijhydene.2012.02.130

Xin, Z., Gøgsig, T., Lindhardt, A. T. & Skrydstrup, T. (2012). An Efficient Method for the Preparation of Tertiary Esters by Palladium-Catalyzed Alkoxycarbonylation of Aryl Bromides. Organic Letters, 14(1), 284-287. https://doi.org/10.1021/ol203057w

Brandt, J., Silver, J. D., Frohn, L., Geels, C., Gross, A., Hansen, A. B., Hansen, K. M., Brandt Hedegaard, G., Skjøth, C. A., Villadsen, H., Zare, A. & Christensen, J. H. (2012). An integrated model study for Europe and North America using the Danish Eulerian Hemispheric Model with focus on intercontinental transport of air pollution. Atmospheric Environment, 53, 156-176. https://doi.org/10.1016/j.atmosenv.2012.01.011

Wu, J., Jasinska-Walc, L., Dudenko, D., Rozanski, A., Hansen, M. R., van Es, D. & Koning, C. E. (2012). An Investigation of Polyamides Based on Isoidide-2,5- Dimethyleneamine as a Green Rigid Building Block with Enhanced Reactivity. Macromolecules, 45(23), 9333-9346. https://doi.org/10.1021/ma302126b

Jørgensen, M. R. V., Skovsen, I., Clausen, H. F., Mi, J.-L., Christensen, M., Nishibori, E., Spackman, M. A. & Iversen, B. B. (2012). Application of Atomic Hirshfeld Surface Analysis to Intermetallic Systems: Is Mn in Cubic CeMnNi₄ a Thermoelectric Rattler atom? Inorganic Chemistry, 51(3), 1916-1924. https://doi.org/10.1021/ic202231k

Zoccante, A., Seidler, P., Hansen, M. B. & Christiansen, O. (2012). Approximate inclusion of four-mode couplings in vibrational coupled-cluster theory. Journal of Chemical Physics, 136(20), 204118. https://doi.org/10.1063/1.4721626

Jiang, H., Lykke, L., Pedersen, S. U., Xiao, W.-J. & Jørgensen, K. A. (2012). A practical electromediated ipso-hydroxylation of aryl and alkyl boronic acids under an air atmosphere. Chemical Communications, 48, 7203-7205. https://doi.org/10.1039/C2CC32711B

Weber, M., Tome, L., Otzen, D. & Schneider, D. (2012). A Ser residue influences the structure and stability of a Pro-kinked transmembrane helix dimer. BBA General Subjects, 1818(9), 2103-7. https://doi.org/10.1016/j.bbamem.2012.04.003

Laustsen, C., Østergaard, J., Lauritzen, M. H., Nørregaard, R., Ringgaard, S., Søgaard, L. V.-C., Bowen, S., Nielsen, N. C., Flyvbjerg, A., Pedersen, M. & Ardenkjær-Larsen, J. H. (2012). Assessment of diabetic nephropathy with Hyperpolarized [1-13C]Pyruvate. I ISMRM

Coriani, S., Fransson, T., Christiansen, O. & Norman, P. (2012). Asymmetric-Lanczos-Chain-Driven Implementation of Electronic Resonance Convergent Coupled-Cluster Linear Response Theory. Journal of Chemical Theory and Computation, 8(5), 1616-1628. https://doi.org/10.1021/ct200919e

Albrecht, L. K., Dickmeiss, G., Cruz Acosta, F., Rodríguez-Escrich, C., Davis, R. L. & Jørgensen, K. A. (2012). Asymmetric Organocatalytic Formal [2 + 2]-Cycloadditions via Bifunctional H-Bond Directing Dienamine Catalysis. Journal of the American Chemical Society, 134(5), 2543-2546. https://doi.org/10.1021/ja211878x

Jensen, K. L., Poulsen, P. H., Donslund, B., Morana, F. & Jørgensen, K. A. (2012). Asymmetric Synthesis of gamma-Nitroesters by an Organocatalytic One-Pot Strategy. Organic Letters, 14, 1516-1519. https://doi.org/10.1021/ol3002514

Fraile Carrasco, A., Schietroma, D. M. S., Albrecht, A., Davis, R. L. & Jørgensen, K. A. (2012). Asymmetric Synthesis of Hexahydropyrrolo-isoquinolines by an Organocatalytic Three-Component Reaction. Chemistry - A European Journal, 18(10), 2773-2776. https://doi.org/10.1002/chem.201200108

Dunér, G., Iruthayaraj, J., Daasbjerg, K., Pedersen, S. U., Thormann, E. & Dedinaite, A. (2012). Attractive double-layer forces and charge regulation upon interaction between electrografted amine layers and silica. Journal of Colloid and Interface Science, 385(1), 225-234. https://doi.org/10.1016/j.jcis.2012.06.071

Wood, K., Paz, A., Dijkstra, K., Scheek, R. M., Otten, R., Silman, I., Sussman, J. L. & Mulder, F. A. A. (2012). Backbone and side chain NMR assignments for the intrinsically disordered cytoplasmic domain of human neuroligin-3. Biomolecular N M R Assignments, 6(1), 15-8. https://doi.org/10.1007/s12104-011-9315-4

Hedegård, E. D., Jensen, F. & Kongsted, J. (2012). Basis Set Recommendations for DFT Calculations of Gas-Phase Optical Rotation at Different Wavelengths. Journal of Chemical Theory and Computation, 8(11), 4425–4433. https://doi.org/10.1021/ct300359s

Schouwink, P., D'Anna, VI., Ley, M. B., Daku, L. M. L., Richter, B., Jensen, T. R., Hagemann, H. & Cerný, R. (2012). Bimetallic Borohydrides in the System M(BH4)2–KBH4 (M = Mg, Mn): On the Structural Diversity. The Journal of Physical Chemistry Part C, 166(20), 10829-10840. https://doi.org/10.1021/jp212318s

Severinsen, K., Kraft, J. F., Koldsø, H., Vinberg, K. A., Rothman, R. B., Partilla, J. S., Wiborg, O., Blough, B., Schiøtt, B. & Sinning, S. (2012). Binding of the Amphetamine-like 1-Phenyl-piperazine to Monoamine Transporters. ACS Chemical Neuroscience, 3(9), 693-705. https://doi.org/10.1021/cn300040f

Hinton, T. M., Monaghan, P., Green, D., Kooijmans, S. A. A., Shi, S., Breheney, K., Tizard, M., Nicolazzo, J. A., Zelikin, A. N. & Wark, K. (2012). Biodistribution of polymer hydrogel capsules for the delivery of therapeutics. Acta Biomaterialia, 8(9), 3251-60. https://doi.org/10.1016/j.actbio.2012.05.028

Mi, J. & Iversen, B. B. (2012). Biomolecule-assisted hydrothermal synthesis of Bi₂Te₃ nanostructures. AIP Conference Proceedings, 1449, 87-90. https://doi.org/10.1063/1.4731503

Overgaard, J., Grin, Y., Takata, M. & Iversen, B. B. (2012). Charge Density in Materials and Energy Science. I C. Gatti & P. Macchi (red.), Modern Charge-Density Analysis (s. 469-504). Springer. https://doi.org/10.1007/978-90-481-3836-4

Overgaard, J. & Iversen, B. B. (2012). Charge Density Methods in Hydrogen Bond Studies. Structure and Bonding, 1-22. https://doi.org/10.1007/430_2010_28

Nielsen, J. T., Eghbalnia, H. R. & Nielsen, N. C. (2012). Chemical shift prediction for protein structure calculation and quality assessment using an optimally parameterized force field. Progress in Nuclear Magnetic Resonance Spectroscopy, 60, 1-28. https://doi.org/10.1016/j.pnmrs.2011.05.002

Slotsbo, S., Hansen, L. M., Jordaens, K., Backeljau, T., Malmendal, A., Nielsen, N. C. & Holmstrup, M. (2012). Cold tolerance and freeze-induced glucose accumulation in three terrestrial slugs. Comparative Biochemistry and Physiology -Part A : Molecular and Integrative Physiology, 161(4), 443-449. https://doi.org/10.1016/j.cbpa.2012.01.002

Oktaviani, N. A., Pool, T. J., Kamikubo, H., Slager, J., Scheek, R. M., Kataoka, M. & Mulder, F. A. A. (2012). Comprehensive determination of protein tyrosine pKa values for photoactive yellow protein using indirect 13C NMR spectroscopy. Biophysical Journal, 102(3), 579-86. https://doi.org/10.1016/j.bpj.2011.12.024

Olsen, J. S., Jorgensen, J.-E., Gerward, L., Vaitheeswaran, G., Kanchana, V. & Svane, A. (2012). Compressibility and structural stability of CeN from experiment and theory. The B1-B2 transition. Journal of Alloys and Compounds, 533, 29-32. https://doi.org/10.1016/j.jallcom.2012.04.018

Torbensen, K., Iruthayaraj, J., Ceccato, M., Kongsfelt, M. S., Breitenbach, T., Pedersen, S. U. & Daasbjerg, K. (2012). Conducting and ordered carbon films obtained by pyrolysis of covalently attached polyphenylene and polyanthracene layers on silicon substrates. Journal of Materials Chemistry, 22(35), 18172-18180. https://doi.org/10.1039/C2JM32935B

Toor, S. S., Rosendahl, L., Nielsen, M. P., Glasius, M., Rudolf, A. & Iversen, S. B. (2012). Continuous production of bio-oil by catalytic liquefaction from wet distiller’s grain with solubles (WDGS) from bio-ethanol production. Biomass & Bioenergy, 36, 327-332. https://doi.org/10.1016/j.biombioe.2011.10.044

Hansen, J. L., Nielsen, J. H., Madsen, C. B., Lindhardt, A. T., Johansson, M. P., Skrydstrup, T., Madsen, L. B. & Stapelfeldt, H. (2012). Control and femtosecond time-resolved imaging of torsion in a chiral molecule. Journal of Chemical Physics, 136(20), 204310. https://doi.org/10.1063/1.4719816

Bretschneider, C., Karabanov, A., Nielsen, N. C. & Köckenberger, W. (2012). Conversion of parahydrogen induced longitudinal two-spin order to evenly distributed single spin polarisation by optimal control pulse sequences. Journal of Chemical Physics, 136(9), 094201. https://doi.org/10.1063/1.3691193

Coriani, S., Christiansen, O., Fransson, T. & Norman, P. (2012). Coupled-cluster response theory for near-edge x-ray-absorption fine structure of atoms and molecules. Physical Review A, 85, 022507(1-8). https://doi.org/10.1103/PhysRevA.85.022507

Halskov, K. S., Johansen, T. K., Davis, R., Hoff Steurer, M. M., Jensen, F. & Jørgensen, K. A. (2012). Cross-trienamines in Asymmetric Organocatalysis. Journal of the American Chemical Society, 134(31), 12943-12946. https://doi.org/10.1021/ja3068269

Kastbjerg, S., Uvarov, C., Kauzlarich, S. M., Chen, Y.-S., Nishibori, E., Spackman, M. A. & Iversen, B. B. (2012). Crystal structure and chemical bonding of the intermetallic Zintl phase Yb₁₁AlSb₉. Dalton Transactions , 41, 10347–10353. https://doi.org/10.1039/C2DT30278K

Gronnier, C., Kramer, S., Odabachian, Y. & Gagosz, F. (2012). Cu(I)-Catalyzed Oxidative Cyclization of Alkynyl Oxiranes and Oxetanes. Journal of the American Chemical Society, 134, 828-831. https://doi.org/10.1021/ja209866a

Hjørringgaard, C. U., Vad, B. S., Matchkov, V., Nielsen, S. B., Vosegaard, T., Nielsen, N. C., Otzen, D. & Skrydstrup, T. (2012). Cyclodextrin-Scaffolded Alamethicin with Remarkably Efficient Membrane Permeabilizing Properties and Membrane Current Conductance. Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, 116(26), 7652-7659. https://doi.org/10.1021/jp2098679

Bremholm, M., K. Kim, C., Hirai, D., Climent-Pascual, E., Xu, Q., W. Zandbergen, H., N. Ali, M. & Cava, R. J. (2012). Destabilization of the 6H-SrIrO3 polymorph through partial substitution of zinc and lithium. Journal of Materials Chemistry, 22, 16431-16436. https://doi.org/10.1039/c2jm32558f

Villadsen, S. R., Dithmer, L., Forsberg, R., Becker, J., Iversen, S. B., Iversen, B. B. & Glasius, M. (2012). Development and application of chemical analysis methods for investigation of bio-oils and aqueous phase from hydrothermal liquefaction of biomass. Energy & Fuels, 26, 6988-6998. https://doi.org/10.1021/ef300954e

Albrecht, L. K., Dickmeiss, G., Weise, C. F., Rodríguez-Escrich, C. & Jørgensen, K. A. (2012). Dienamine-Mediated Inverse-Electron-Demand Hetero-Diels–Alder Reaction by Using an Enantioselective H-Bond-Directing Strategy. Angewandte Chemie, 124(52), 13286-13290. https://doi.org/10.1002/ange.201207122

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Institut for Kemi