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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Yin, H. & Skrydstrup, T. (2017). Access to Perfluoroalkyl-Substituted Enones and Indolin-2-ones via Multicomponent Pd-Catalyzed Carbonylative Reactions. Journal of Organic Chemistry, 82(12), 6474-6481. https://doi.org/10.1021/acs.joc.7b00942
Schmitz, G. & Hättig, C. (2017). Accuracy of Explicitly Correlated Local PNO-CCSD(T). Journal of Chemical Theory and Computation, 13(6), 2623-2633. https://doi.org/10.1021/acs.jctc.7b00180
Schmitz, G. A. & Christiansen, O. (2017). Accuracy of Frequencies Obtained with the Aid of Explicitly Correlated Wave Function Based Methods. Journal of Chemical Theory and Computation, 13(8), 3602-3613. https://doi.org/10.1021/acs.jctc.7b00476
Tolborg, K., Jørgensen, M. R. V., Christensen, S., Kasai, H., Becker, J., Walter, P., Dippel, A. C., Als-Nielsen, J. & Iversen, B. B. (2017). Accurate charge densities from powder X-ray diffraction - a new version of the Aarhus vacuum imaging-plate diffractometer. Acta Crystallographica Section B: Structural Science, 73(4), 521-530. https://doi.org/10.1107/S2052520617006357
Lutz, H., Jaeger, V., Bonn, M., Pfaendtner, J. & Weidner, T. (2017). Acetylation dictates the morphology of nanophase biosilica precipitated by a 14-amino acid leucine-lysine peptide. Journal of Peptide Science, 23(2), 141-147. https://doi.org/10.1002/psc.2960
Meroni, D., Lo Presti, L., Di Liberto, G., Ceotto, M., Acres, R. G., Prince, K. C., Bellani, R., Soliveri, G. & Ardizzone, S. (2017). A close look at the structure of the TiO2-APTES interface in hybrid nanomaterials and its degradation pathway: An experimental and theoretical study. Journal of Physical Chemistry C, 121(1), 430-440. https://doi.org/10.1021/acs.jpcc.6b10720
Oktaviani, N. A., Pool, T. J., Yoshimura, Y., Kamikubo, H., Scheek, R. M., Kataoka, M. & Mulder, F. A. A. (2017). Active-Site pKa Determination for Photoactive Yellow Protein Rationalizes Slow Ground-State Recovery. Biophysical Journal, 112(10), 2109-2116. https://doi.org/10.1016/j.bpj.2017.04.008
Tørring, T., Shames, S. R., Cho, W., Roy, C. R. & Crawford, J. M. (2017). Acyl Histidines: New N-Acyl Amides from Legionella pneumophila. ChemBioChem, 18(7), 638-646. https://doi.org/10.1002/cbic.201600618
Huynh, T.-P., Sonar, P. & Haick, H. (2017). Advanced Materials for Use in Soft Self-Healing Devices. Advanced Materials, 29(19), Artikel 1604973. https://doi.org/10.1002/adma.201604973
Andersen, M., Tesauro, C., Gonzalez, M., Kristoffersen, E. L., Alonso, C., Rubiales, G., Coletta, A., Hougaard, R. F., Stougaard, M., Ho, M. Y.-P., Palacios, F. & Knudsen, B. R. (2017). Advantages of an optical nanosensor system for the mechanistic analysis of a novel topoisomerase I targeting drug: a case study. Nanoscale, 9(5), 1886-1895. https://doi.org/10.1039/C6NR06848K
Helmig, S. W. & Gothelf, K. V. (2017). AFM Imaging of Hybridization Chain Reaction-Mediated Signal Transmission Between two DNA Origami Structures. Angewandte Chemie International Edition, 56(44), 13633-13636. https://doi.org/10.1002/anie.201706680
Shankar, R., Ernst, M., Madhu, P. K., Vosegaard, T., Nielsen, N. C. & Nielsen, A. B. (2017). A general theoretical description of the influence of isotropic chemical shift in dipolar recoupling experiments for solid-state NMR. Journal of Chemical Physics, 146(13), Artikel 134105. https://doi.org/10.1063/1.4979123
Amini, K., Boll, R., Lauer, A., Burt, M., Lee, J. W. L., Christensen, L., Brauβe, F., Mullins, T., Savelyev, E., Ablikim, U., Berrah, N., Bomme, C., Düsterer, S., Erk, B., Höppner, H., Johnsson, P., Kierspel, T., Krecinic, F., Küpper, J. ... Rolles, D. (2017). Alignment, orientation, and Coulomb explosion of difluoroiodobenzene studied with the pixel imaging mass spectrometry (PImMS) camera. Journal of Chemical Physics, 147(1), Artikel 013933. https://doi.org/10.1063/1.4982220
Baudin, P., Bykov, D., Liakh, D., Ettenhuber, P. & Kristensen, K. (2017). A local framework for calculating coupled cluster singles and doubles excitation energies (LoFEx-CCSD). Molecular Physics, 115(17-18), 2135-2144. https://doi.org/10.1080/00268976.2017.1290836
Meninno, S., Overgaard, J. & Lattanzi, A. (2017). Amine Thiourea Catalysed Double Michael Reaction: An Approach for the Asymmetric Synthesis of Spiro[pyrazolone-4,3′-tetrahydrothiophenes]. Synthesis, 49(7), 1509-1518. https://doi.org/10.1055/s-0036-1588725
Møller, K. T., Grinderslev, J. & Jensen, T. R. (2017). A NaAlH4-Ca(BH4)2 composite system for hydrogen storage. Journal of Alloys and Compounds, 720, 497-501. https://doi.org/10.1016/j.jallcom.2017.05.264
Kuhlmann, M., Hamming, J. B. R., Voldum, A., Tsakiridou, G., Larsen, M. T., Schmøkel, J., Sohn, E., Bienk, K., Schaffert, D. H., Sørensen, E. S., Wengel, J., Dupont, D. M. & Howard, K. (2017). An albumin-oligonucleotide assembly for potential combinatorial drug delivery and half-life extension applications. Molecular Therapy - Nucleic Acids, 9, 284-293. https://doi.org/10.1016/j.omtn.2017.10.004
Rouse, S. L., Hawthorne, W. J., Berry, J.-L., Chorev, D. S., Ionescu, S. A., Lambert, S., Stylianou, F., Ewert, W., Mackie, U., Morgan, R. M. L., Otzen, D., Herbst, F.-A., Nielsen, P. H., Dueholm, M., Bayley, H., Robinson, C. V., Hare, S. & Matthews, S. (2017). A new class of hybrid secretion system is employed in Pseudomonas amyloid biogenesis. Nature Communications, 8(1), Artikel 263. https://doi.org/10.1038/s41467-017-00361-6
Destro, R., Ruffo, R., Roversi, P., Soave, R., Loconte, L. & Lo Presti, L. (2017). Anharmonic motions versus dynamic disorder at the Mg ion from the charge densities in pyrope (Mg3Al2Si3O12) crystals at 30 K: six of one, half a dozen of the other. Acta Crystallographica Section B: Structural Science, 73(4), 722-736. https://doi.org/10.1107/S2052520617006102
Anankanbil, S., Pérez, B., Yang, J., Banerjee, C. & Guo, Z. (2017). A novel array of interface-confined molecules: Assembling natural segments for delivery of multi-functionalities. Journal of Colloid and Interface Science, 508, 230-236. https://doi.org/10.1016/j.jcis.2017.08.052
Skoglund, S., Blomberg, E., Wallinder, I. O., Grillo, I., Pedersen, J. S. & Bergstrom, L. M. (2017). A novel explanation for the enhanced colloidal stability of silver nanoparticles in the presence of an oppositely charged surfactant. Physical Chemistry Chemical Physics, 19(41), 28037-28043. https://doi.org/10.1039/c7cp04662f
Andersen, T. L., Nordeman, P., Christoffersen, H. F., Audrain, H., Antoni, G. & Skrydstrup, T. (2017). Application of Methyl Bisphosphine-Ligated Palladium Complexes for Low Pressure N-11C-Acetylation of Peptides. Angewandte Chemie International Edition, 56(16), 4549-4553. https://doi.org/10.1002/anie.201700446
Vinding, M. S., Brenner, D., Tse, D. H. Y., Vellmer, S., Vosegaard, T., Suter, D., Stöcker, T. & Maximov, I. (2017). Application of the limited-memory quasi-Newton algorithm for multi-dimensional, large flip-angle RF pulses at 7T. Magnetic Resonance Materials in Physics, Biology and Medicine, 30(1), 29-39. https://doi.org/10.1007/s10334-016-0580-1
Li, J., Vosegaard, T. & Guo, Z. (2017). Applications of nuclear magnetic resonance in lipid analyses: An emerging powerful tool for lipidomics studies. Progress in Lipid Research, 68, 37-56. https://doi.org/10.1016/j.plipres.2017.09.003
Pan, X., Shi, Z., Shi, C., Ling, T. C. & Li, N. (2017). A review on concrete surface treatment Part I: Types and mechanisms. Construction and Building Materials, 132, 578-590. https://doi.org/10.1016/j.conbuildmat.2016.12.025
Pan, X., Shi, Z., Shi, C., Ling, T. C. & Li, N. (2017). A review on surface treatment for concrete – Part 2: Performance. Construction and Building Materials, 133, 81-90. https://doi.org/10.1016/j.conbuildmat.2016.11.128
Galarneau, E., Patel, M., Brook, J. R., Charland, J. P., Glasius, M., Bossi, R. & Hung, H. (2017). Artefacts in semivolatile organic compound sampling with polyurethane foam substrates in high volume cascade impactors. Aerosol Science and Technology, 51(3), 247 – 257. https://doi.org/10.1080/02786826.2016.1267327
Biller, P., Lawson, D., Madsen, R. B., Becker, J., Iversen, B. B. & Glasius, M. (2017). Assessment of agricultural crops and natural vegetation in Scotland for energy production by anaerobic digestion and hydrothermal liquefaction. Biomass Conversion and Biorefinery, 7(4), 467-477. https://doi.org/10.1007/s13399-016-0230-x
Rojo-Gama, D., Nielsen, M., Wragg, D. S., Dyballa, M., Holzinger, J., Falsig, H., Lundegaard, L. F., Beato, P., Brogaard, R. Y., Lillerud, K. P., Olsbye, U. & Svelle, S. (2017). A Straightforward Descriptor for the Deactivation of Zeolite Catalyst H-ZSM-5. ACS Catalysis, 7(12), 8235-8246. https://doi.org/10.1021/acscatal.7b02193
Li, Y., Barløse, C., Jørgensen, J., Carlsen, B. D. & Jørgensen, K. A. (2017). Asymmetric Catalytic Aza-Diels-Alder/Ring-Closing Cascade Reaction Forming Bicyclic Azaheterocycles by Trienamine Catalysis. Chemistry - A European Journal, 23(1), 38-41. https://doi.org/10.1002/chem.201604310
Klier, L., Tur Espinosa, F., Poulsen, P. H. & Jørgensen, K. A. (2017). Asymmetric cycloaddition reactions catalysed by diarylprolinol silyl ethers. Chemical Society Reviews, 46(4), 1080-1102. https://doi.org/10.1039/c6cs00713a
Schmitz, G., Madsen, N. K. & Christiansen, O. (2017). Atomic-batched tensor decomposed two-electron repulsion integrals. Journal of Chemical Physics, 146(13), Artikel 134112. https://doi.org/10.1063/1.4979571
Di Liberto, G., Pifferi, V., Lo Presti, L., Ceotto, M. & Falciola, L. (2017). Atomistic Explanation for Interlayer Charge Transfer in Metal-Semiconductor Nanocomposites: The Case of Silver and Anatase. The Journal of Physical Chemistry Letters, 8(21), 5372-5377. https://doi.org/10.1021/acs.jpclett.7b02555
Franz, J., Van Zadel, M. J. & Weidner, T. (2017). A trough for improved SFG spectroscopy of lipid monolayers. Review of Scientific Instruments, 88(5), Artikel 053106. https://doi.org/10.1063/1.4982050
Warrick, E. R., Baekhoj, J. E., Cao, W., Fidler, A. P., Jensen, F., Madsen, L. B., Leone, S. R. & Neumark, D. M. (2017). Attosecond transient absorption spectroscopy of molecular nitrogen: Vibrational coherences in the b' 1Σ+u statestate+. Chemical Physics Letters, 683, 408-415. https://doi.org/10.1016/j.cplett.2017.02.013
Poulsen, N. N., Østergaard, J., Petersen, N. J., Daasbjerg, K., Iruthayaraj, J., Dedinaite, A., Makuska, R. & Jensen, H. (2017). Automated coating procedures to produce poly(ethylene glycol) brushes in fused-silica capillaries. Journal of Separation Science, 40(3), 779–788. https://doi.org/10.1002/jssc.201600878
Bogh, S. A., Simmermacher, M., Westberg, M., Bregnhøj, M., Rosenberg, M., De Vico, L., Veiga, M., Laursen, B. W., Ogilby, P. R., Sauer, S. P. A. & Sørensen, T. J. (2017). Azadioxatriangulenium and Diazaoxatriangulenium: Quantum Yields and Fundamental Photophysical Properties. ACS Omega, 2(1), 193-203. https://doi.org/10.1021/acsomega.6b00211
Ferapontova, E. (2017). Basic concepts and recent advances in electrochemical analysis of nucleic acids. Current Opinion in Electrochemistry, 5(1), 218-225. https://doi.org/10.1016/j.coelec.2017.09.026
Elm, J. & Kristensen, K. (2017). Basis set convergence of the binding energies of strongly hydrogen-bonded atmospheric clusters. Physical Chemistry Chemical Physics, 19(2), 1122-1133. https://doi.org/10.1039/c6cp06851k
Nagy, B. & Jensen, F. (2017). Basis Sets in Quantum Chemistry. I A. L. Parrill & K. Lipkowitz (red.), Reviews in computational chemistry (Bind 30, s. 93-150). Wiley.
Koefoed, L., Pedersen, S. U. & Daasbjerg, K. (2017). Bipolar electrochemistry—A wireless approach for electrode reactions. Current Opinion in Electrochemistry, 2(1), 13-17. https://doi.org/10.1016/j.coelec.2017.02.001
Schlafer, S., Ibsen, C. J. S., Birkedal, H. & Nyvad, B. (2017). Calcium-Phosphate-Osteopontin Particles Reduce Biofilm Formation and pH Drops in in situ-Grown Dental Biofilms. Caries Research, 51(1), 26-33. https://doi.org/DOI:10.1159/000451064
Alves, C., Pedersen, J. S. & Oliveira, C. L. P. (2017). Calculation of two-dimensional scattering patterns for oriented systems. Journal of Applied Crystallography, 50(3), 840-850. https://doi.org/10.1107/S1600576717005179
Yu, J., Biller, P., Mamakhel, M. A. H., Klemmer, M., Becker, J., Glasius, M. & Iversen, B. B. (2017). Catalytic hydrotreatment of bio-crude produced from hydrothermal liquefaction of aspen wood: A catalyst screening and parameter optimization study. Sustainable Energy & Fuels, 1(4), 832-841. https://doi.org/10.1039/C7SE00090A
Birkedal, H. (2017). Cation-π Interactions: Mimicking mussel mechanics. Nature Chemistry, 9(5), 408-409. https://doi.org/10.1038/nchem.2774
Baudin, P., Kjærgaard, T. & Kristensen, K. (2017). CC2 oscillator strengths within the local framework for calculating excitation energies (LoFEx). Journal of Chemical Physics, 146(14), 144107. Artikel 144107. https://doi.org/10.1063/1.4979713
Madsen, R. B., Zhang, H., Biller, P., Goldstein, A. H. & Glasius, M. (2017). Characterizing Semivolatile Organic Compounds of Biocrude from Hydrothermal Liquefaction of Biomass. Energy & Fuels, 31(4), 4122-4134. https://doi.org/10.1021/acs.energyfuels.7b00160
Gothelf, K. V. (2017). Chemical modifications and reactions in DNA nanostructures. MRS Bulletin, 42(12), 897-903. https://doi.org/10.1557/mrs.2017.276
Veronika, O., Kasalová-Vargová, V., Kekedy-Nagy, L., Černocká, H. & Ferapontova, E. (2017). Chronopotentiometric sensing of specific interactions between lysozyme and the DNA aptamer. Bioelectrochemistry, 114, 42-47. https://doi.org/10.1016/j.bioelechem.2016.12.003
Bertolotti, F., Protesescu, L., Kovalenko, M. V., Yakunin, S., Cervellino, A., Billinge, S. J. L., Terban, M. W., Pedersen, J. S., Masciocchi, N. & Guagliardi, A. (2017). Coherent Nanotwins and Dynamic Disorder in Cesium Lead Halide Perovskite Nanocrystals. A C S Nano, 11(4), 3819-3831. https://doi.org/10.1021/acsnano.7b00017

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Institut for Kemi