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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Liu, J., Andersen, H. L., Al Bahri, O. K., Bhattacharyya, S., Rawal, A., Brand, H. E. A. & Sharma, N. (2018). Electrochemically activated solid synthesis: An alternative solid-state synthetic method. Dalton Transactions, 47(41), 14604-14611. https://doi.org/10.1039/c8dt02946f
Schultz, B., Andersen, H. L., Al Bahri, O. K., Johannessen, B., Liu, J., Primig, S. & Sharma, N. (2018). Electrochemical performance and structure of Al2W3−xMoxO12. CrystEngComm, 20(10), 1352-1360. https://doi.org/10.1039/c7ce01707c
Fapyane, D., Kékedy-Nagy, L., Sakharov, I. Y. & Ferapontova, E. E. (2018). Electrochemistry and electrocatalysis of covalent hemin-G4 complexes on gold. Journal of Electroanalytical Chemistry, 812, 174-179. https://doi.org/10.1016/j.jelechem.2017.11.053
Arnold, F., Warmuth, J., Michiardi, M., Fikacek, J., Bianchi, M., Hu, J., Mao, Z., Miwa, J., Singh, U. R., Bremholm, M., Wiesendanger, R., Honolka, J., Wehling, T., Wiebe, J. & Hofmann, P. (2018). Electronic structure of Fe1.08Te bulk crystals and epitaxial FeTe thin films on Bi2Te3. Journal of Physics: Condensed Matter, 30(6), Artikel 065502. https://doi.org/10.1088/1361-648X/aaa43e
Campos, R., Kekedy-Nagy, L., She, Z., Sodh, R., Kraatz, H.-B. & Ferapontova, E. E. (2018). Electron Transfer in Spacer-Free DNA Duplexes Tethered to Gold via dA10 Tags. Langmuir, 34(29), 8472-8479. https://doi.org/10.1021/acs.langmuir.8b01412
Klinting, E. L., Thomsen, B., Godtliebsen, I. H. & Christiansen, O. (2018). Employing general fit-bases for construction of potential energy surfaces with an adaptive density-guided approach. Journal of Chemical Physics, 148(6), Artikel 064113. https://doi.org/10.1063/1.5016259
He, M., Chen, X., Bodenstein, T., Nyvang, A., Schmidt, S. F. M., Peng, Y., Moreno-Pineda, E., Ruben, M., Fink, K., Gamer, M. T., Powell, A. K. & Roesky, P. W. (2018). Enantiopure Benzamidinate/Cyclooctatetraene Complexes of the Rare-Earth Elements: Synthesis, Structure, and Magnetism. Organometallics, 37(21), 3708-3717. https://doi.org/10.1021/acs.organomet.8b00412
Leth, L. A., Næsborg, L., Reyes-Rodríguez, G. J., Tobiesen, H. N., Iversen, M. V. & Jørgensen, K. A. (2018). Enantioselective Oxidative Coupling of Carboxylic Acids to α-Branched Aldehydes. Journal of the American Chemical Society, 140(40), 12687-12690. https://doi.org/10.1021/jacs.8b07394
Periole, X., Huber, T., Bonito-Oliva, A., Aberg, K. C., Van Der Wel, P. C. A., Sakmar, T. P. & Marrink, S. J. (2018). Energetics Underlying Twist Polymorphisms in Amyloid Fibrils. Journal of Physical Chemistry B, 122(3), 1081-1091. https://doi.org/10.1021/acs.jpcb.7b10233
Huang, L.-Z., Zhang, Y., Hu, X.-M., Hansen, H. C. B., Pedersen, S. U. & Daasbjerg, K. (2018). Energy-harvesting bio-electro-dehalogenation for sustainable wastewater treatment. Electrochimica Acta, 290, 38-45. https://doi.org/10.1016/j.electacta.2018.09.056
Mirhosseini, M., Rezania, A., Iversen, B. & Rosendahl, L. (2018). Energy harvesting from a thermoelectric zinc antimonide thin film under steady and unsteady operating conditions. Materials, 11(12), 2365 - 23685. Artikel 2365. https://doi.org/10.3390/ma11122365
Morsbach, S., Gonella, G., Mailänder, V., Wegner, S., Wu, S., Weidner, T., Berger, R., Koynov, K., Vollmer, D., Encinas, N., Kuan, S. L., Bereau, T., Kremer, K., Weil, T., Bonn, M., Butt, H. J. & Landfester, K. (2018). Engineering Proteins at Interfaces: From Complementary Characterization to Material Surfaces with Designed Functions. Angewandte Chemie - International Edition, 57(39), 12626-12648. https://doi.org/10.1002/anie.201712448
Singh, U. R., Warmuth, J., Kamlapure, A., Cornils, L., Bremholm, M., Hofmann, P., Wiebe, J. & Wiesendanger, R. (2018). Enhanced spin-ordering temperature in ultrathin FeTe films grown on a topological insulator. Physical Review B, 97(14), Artikel 144513. https://doi.org/10.1103/PhysRevB.97.144513
Song, L., Blichfeld, A. B., Zhang, J., Kasai, H. & Iversen, B. B. (2018). Enhanced thermoelectric performance and high-temperature thermal stability of p-type Ag-doped β-Zn4Sb3. Journal of Materials Chemistry A, 2018(6), 4079-4087. https://doi.org/10.1039/C7TA10859A
Eikeland, A. Z., Stingaciu, M., Mamakhel, A. H., Saura-Múzquiz, M. & Christensen, M. (2018). Enhancement of magnetic properties through morphology control of SrFe12O19 nanocrystallites. Scientific Reports, 8(1), Artikel 7325. https://doi.org/10.1038/s41598-018-25662-8
Winther, A. K., Fejerskov, B., Ter Meer, M., Jensen, N. B. S., Dillion, R., Schaffer, J. E., Chandrawati, R., Stevens, M. M., Schultze Kool, L. J., Simonsen, U. & Zelikin, A. N. (2018). Enzyme Prodrug Therapy Achieves Site-Specific, Personalized Physiological Responses to the Locally Produced Nitric Oxide. A C S Applied Materials and Interfaces, 10(13), 10741-10751. https://doi.org/10.1021/acsami.8b01658
Jepsen, M. D. E., Sparvath, S. M., Nielsen, T. B., Langvad, A. H., Grossi, G., Gothelf, K. V. & Andersen, E. S. (2018). Erratum: Publisher Correction: Development of a genetically encodable FRET system using fluorescent RNA aptamers (Nature communications (2018) 9 1 (18)). Nature Communications, 9(1), Artikel 669. https://doi.org/10.1038/s41467-018-03075-5
Sedghamiz, E. & Ghalami, F. (2018). Evaluating the Effects of Geometry and Charge Flux in Force Field Modeling. The Journal of Physical Chemistry A, 122(19), 4647-4653. https://doi.org/10.1021/acs.jpca.7b12198
Birgisson, S., Christiansen, T. L. & Iversen, B. B. (2018). Exploration of Phase Compositions, Crystal Structures, and Electrochemical Properties of NaxFeyMn1-yO2 Sodium Ion Battery Materials. Chemistry of Materials, 30(19), 6636-6645. https://doi.org/10.1021/acs.chemmater.8b01566
Du, J. J., Hanrahan, J. R., Solomon, V. R., Williams, P. A., Groundwater, P. W., Overgaard, J., Platts, J. A. & Hibbs, D. E. (2018). Exploring the Binding of Barbital to a Synthetic Macrocyclic Receptor; a Charge Density Study. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 122(11), 3031-3044. https://doi.org/10.1021/acs.jpca.7b11674
Madsen, N. K., Hansen, M. B., Zoccante, A., Monrad, K., Hansen, M. B. & Christiansen, O. (2018). Exponential parameterization of wave functions for quantum dynamics: Time-dependent Hartree in second quantization. Journal of Chemical Physics, 149(13), Artikel 134110. https://doi.org/10.1063/1.5049344
Kristensen, S. K., Laursen, S. L. R., Taarning, E. & Skrydstrup, T. (2018). Ex Situ Formation of Methanethiol: Application in the Gold(I)-Promoted Anti-Markovnikov Hydrothiolation of Olefins. Angewandte Chemie - International Edition, 57(42), 13887-13891. https://doi.org/10.1002/anie.201809051
Shi, J.-J., Hu, X.-M., Madsen, M. R., Lamagni, P., Bjerglund, E. T., Pedersen, S. U., Skrydstrup, T. & Daasbjerg, K. (2018). Facile Synthesis of Iron- and Nitrogen-Doped Porous Carbon for Selective CO2 Electroreduction. ACS Applied Nano Materials, 1(7), 3608-3615. https://doi.org/10.1021/acsanm.8b00755
Vosegaard, T. (2018). Fast simulations of multidimensional NMR spectra of proteins and peptides. Magnetic Resonance in Chemistry, 56(6), 438-448. https://doi.org/10.1002/mrc.4663
Sørensen, M. K., M. Balsgart, N., Jensen, O., Nielsen, N. C. & Vosegaard, T. (2018). Fast Wide‐Line Solid‐State NMR on a Low‐Cost Benchtop Spectrometer. ChemPhysChem, 19(22), 2985-2988. https://doi.org/10.1002/cphc.201800711
Pickering, J., Shepperson, B., Christiansen, L. & Stapelfeldt, H. (2018). Femtosecond Laser Induced Coulomb Explosion Imaging of Aligned OCS Oligomers inside Helium Nanodroplets. The Journal of Chemical Physics, 149(15), 154306/1-154306/11. Artikel 154306. https://doi.org/10.1063/1.5049555
Pistidda, C., Charalambopoulou, G. & Jensen, T. R. (2018). Foreword for the IJHE Special Section on E-MRS 2017 Fall Meeting Symposium C on “Multifunctionality of metal hydrides for energy storage – Developments and perspectives” Warsaw-Poland, 18-21 September 2017. International Journal of Hydrogen Energy, 43(34). https://doi.org/10.1016/j.ijhydene.2018.07.001
Birgisson, S., Saha, D. & Iversen, B. B. (2018). Formation Mechanisms of Nanocrystalline MnO2 Polymorphs under Hydrothermal Conditions. Crystal Growth & Design, 18(2), 827-838. https://doi.org/10.1021/acs.cgd.7b01304
Pedersen, K. S., Perlepe, P., Aubrey, M. L., Woodruff, D. N., Reyes-Lillo, S. E., Reinholdt, A., Voigt, L., Li, Z., Borup, K., Rouzières, M., Samohvalov, D., Wilhelm, F., Rogalev, A., Neaton, J. B., Long, J. R. & Clérac, R. (2018). Formation of the layered conductive magnet CrCl2(pyrazine)2 through redox-active coordination chemistry. Nature Chemistry, 10(10), 1056-1061. https://doi.org/10.1038/s41557-018-0107-7
Richter, B., Grinderslev, J., Møller, K. T., Paskevicius, M. & Jensen, T. R. (2018). From Metal Hydrides to Metal Borohydrides. Inorganic Chemistry, 57(17), 10768-10780. https://doi.org/10.1021/acs.inorgchem.8b01398
Artiukhin, D. G. & Neugebauer, J. (2018). Frozen-density embedding as a quasi-diabatization tool: Charge-localized states for spin-density calculations. Journal of Chemical Physics, 148(21), 214104-1-214104-14. Artikel 214104. https://doi.org/10.1063/1.5023290
Hedegaard, E. M. J., Mamakhel, A. A. H., Reardon, H. & Iversen, B. B. (2018). Functionally Graded (PbTe)1-x(SnTe)x Thermoelectrics. Chemistry of Materials, 30(1), 280-287. https://doi.org/10.1021/acs.chemmater.7b04473
Li, H. W., Zhu, M., Buckley, C. & Jensen, T. R. (2018). Functional materials based on metal hydrides. Inorganics, 6(3), Artikel 91. https://doi.org/10.3390/inorganics6030091
Mulder, F. A. A. (2018). Fuzzy and fast nuclear transport. Journal of Biological Chemistry, 293(12), 4564-4565. https://doi.org/10.1074/jbc.H118.002129
Schmitz, G. & Christiansen, O. (2018). Gaussian process regression to accelerate geometry optimizations relying on numerical differentiation. The Journal of Chemical Physics, 148(24), 241704. Artikel 241704. https://doi.org/10.1063/1.5009347
Manuguerra, I., Croce, S., El-Sagheer, A. H., Krissanaprasit, A., Brown, T., Gothelf, K. V. & Manetto, A. (2018). Gene assembly via one-pot chemical ligation of DNA promoted by DNA nanostructures. Chemical Communications, 54(36), 4529-4532. https://doi.org/10.1039/C8CC00738A
Lamagni, P., Pedersen, B. L., Godiksen, A. L., Mossin, S., Hu, X., Pedersen, S. U., Daasbjerg, K. & Lock, N. (2018). Graphene inclusion controlling conductivity and gas sorption of metal–organic framework. R S C Advances, 8(25), 13921-13932. https://doi.org/10.1039/c8ra02439a
Myllys, N., Ponkkonen, T., Passananti, M., Elm, J., Vehkamäki, H. & Olenius, T. (2018). Guanidine: A Highly Efficient Stabilizer in Atmospheric New-Particle Formation. The Journal of Physical Chemistry A, 122(20), 4717-4729. https://doi.org/10.1021/acs.jpca.8b02507
Palazzo, T. A. & Jørgensen, K. A. (2018). Higher-order cycloaddition reactions: A computational perspective. Tetrahedron, 74(52), 7381-7387. https://doi.org/10.1016/j.tet.2018.11.008
Buhl, K. B., Møller, R., Heide-Jørgensen, S., Kolding , A. N., Kongsfelt, M. S., Budzik, M. K., Hinge, M., Pedersen, S. U. & Daasbjerg, K. (2018). Highly Efficient Rubber-to-Stainless Steel Bonding by Nanometer-Thin Cross-linked Polymer Brushes. ACS Omega, 3(12), 17511–17519. https://doi.org/10.1021/acsomega.8b02312
Li, W., Christiansen, T. L., Li, C., Zhou, Y., Fei, H., Mamakhel, A., Iversen, B. B. & Watkins, J. J. (2018). High-power lithium-ion microbatteries from imprinted 3D electrodes of sub-10 nm LiMn2O4/Li4Ti5O12 nanocrystals and a copolymer gel electrolyte. Nano Energy, 52(10), 431-440. https://doi.org/10.1016/j.nanoen.2018.08.019
Pinilla-Herrero, I., Borfecchia, E., Holzinger, J., Mentzel, U. V., Joensen, F., Lomachenko, K. A., Bordiga, S., Lamberti, C., Berlier, G., Olsbye, U., Svelle, S., Skibsted, J. & Beato, P. (2018). High Zn/Al ratios enhance dehydrogenation vs hydrogen transfer reactions of Zn-ZSM-5 catalytic systems in methanol conversion to aromatics. Journal of Catalysis, 362, 146-163. https://doi.org/10.1016/j.jcat.2018.03.032
Pedersen, M. T., Lothenbach, B., Winnefeld, F. & Skibsted, J. (2018). Hydrate Phase Assemblages in Calcium Sulfoaluminate - Metakaolin - Limestone Blends. I Calcined Clays for Sustainable Concrete - Proceedings of the 2nd International Conference on Calcined Clays for Sustainable Concrete: Proceedings of the 2nd International Conference on Calcined Clays for Sustainable Concrete (Bind 16, s. 352-357). Springer. https://doi.org/10.1007/978-94-024-1207-9_57
Kildgaard, J. V., Mikkelsen, K. V., Bilde, M. & Elm, J. (2018). Hydration of Atmospheric Molecular Clusters: A New Method for Systematic Configurational Sampling. The Journal of Physical Chemistry A, 122(22), 5026-5036. https://doi.org/10.1021/acs.jpca.8b02758
Kildgaard, J. V., Mikkelsen, K. V., Bilde, M. & Elm, J. (2018). Hydration of Atmospheric Molecular Clusters II: Organic Acid-Water Clusters. The journal of physical chemistry. A, 122(43), 8549-8556. https://doi.org/10.1021/acs.jpca.8b07713
Jensen, S. R. H., Paskevicius, M., Hansen, B. R. S., Jakobsen, A. S., Møller, K. T., White, J. L., Allendorf, M. D., Stavila, V., Skibsted, J. & Jensen, T. R. (2018). Hydrogenation properties of lithium and sodium hydride- closo -borate, [B10H10]2- and [B12H12]2-, composites. Physical Chemistry Chemical Physics, 20(23), 16266-16275. https://doi.org/10.1039/c7cp07776a
Jensen, M. M., Djajadi, D. T., Torri, C., Rasmussen, H. B., Madsen, R. B., Venturini, E., Vassura, I., Becker, J., Iversen, B. B., Meyer, A. S., Jorgensen, H., Fabbri, D. & Glasius, M. (2018). Hydrothermal Liquefaction of Enzymatic Hydrolysis Lignin: Biomass Pretreatment Severity Affects Lignin Valorization. ACS Sustainable Chemistry & Engineering, 6(5), 5940-5949. https://doi.org/10.1021/acssuschemeng.7b04338
Thomas, E. F., Søndergaard, A. A., Shepperson, B., Henriksen, N. E. & Stapelfeldt, H. (2018). Hyperfine-Structure-Induced Depolarization of Impulsively Aligned I2 Molecules. Physical Review Letters, 120(16), Artikel 163202. https://doi.org/10.1103/PhysRevLett.120.163202
Verreault, D., Alamdari, S., Roeters, S. J., Pandey, R., Pfaendtner, J. & Weidner, T. (2018). Ice-binding site of surface-bound type III antifreeze protein partially decoupled from water. Physical Chemistry Chemical Physics, 20(42), 26926-26933. https://doi.org/10.1039/c8cp03382j
Ruiz-Santaquiteria, C. & Skibsted, J. (2018). Identification of reactive sites in calcined kaolinite and montmorillonite from a combination of chemical methods and solid-state nmr spectroscopy. I F. Martirena , A. Favier & K. Scrivener (red.), Calcined Clays for Sustainable Concrete - Proceedings of the 2nd International Conference on Calcined Clays for Sustainable Concrete (Bind 16, s. 404-408). Springer. https://doi.org/10.1007/978-94-024-1207-9_65

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Institut for Kemi