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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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
Johansen, M. B., Kondrup, J. C., Hinge, M. & Lindhardt, A. T. (2018). Improved Safety during Transfer of Pyrophoric tert-Butyllithium from Flasks with Protective Seals. Organic Process Research & Development, 22(7), 903-905. https://doi.org/10.1021/acs.oprd.8b00151
Kunther, W. & Lothenbach, B. (2018). Improved volume stability of mortar bars exposed to magnesium sulfate in the presence of bicarbonate ions. Cement and Concrete Research, 109, 217-229. https://doi.org/10.1016/j.cemconres.2018.04.022
Garbus, S. E., Lyngs, P., Garbus, M., Garbus, P. G., Eulaers, I., Mosbech, A., Dietz, R., Gilchrist, H. G., Huusmann, R., Christensen, J. P. & Sonne, C. (2018). Incubation behaviour of Common Eiders Somateria mollissima in the Central Baltic: Nest attendance and loss in body mass. Acrocephalus, 39(178-179), 91-100. https://doi.org/10.1515/acro-2018-0008
Andersen, A., Ibsen, C. J. S. & Birkedal, H. (2018). Influence of Metal Ions on the Melting Temperature, Modulus, and Gelation Time of Gelatin Gels: Specific Ion Effects on Hydrogel Properties. Journal of Physical Chemistry B, 122(43), 10062-10067. https://doi.org/10.1021/acs.jpcb.8b07658
Pérez, B., Coletta, A., Pedersen, J. N., Petersen, S. V., Periole, X., Pedersen, J. S., Sessions, R. B., Guo, Z., Perriman, A. & Schiøtt, B. (2018). Insight into the molecular mechanism behind PEG-mediated stabilization of biofluid lipases. Scientific Reports, 8(1), Artikel 12293. https://doi.org/10.1038/s41598-018-29871-z
Dreyer-Andersen, N., Almeida, A. S., Jensen, P., Kamand, M., Okarmus, J., Rosenberg, T., Friis, S. D., Serrano, A. M., Blaabjerg, M., Kristensen, B. W., Skrydstrup, T., Gramsbergen, J. B., Vieira, H. L. A. & Meyer, M. (2018). Intermittent, low dose carbon monoxide exposure enhances survival and dopaminergic differentiation of human neural stem cells. PLoS One, 13(1), Artikel e0191207. https://doi.org/10.1371/journal.pone.0191207
Izzo, J. A., Poulsen, P. H., Intrator, J. A., Jørgensen, K. A. & Vetticatt, M. J. (2018). Isotope Effects Reveal an Alternative Mechanism for "iminium-Ion" Catalysis. Journal of the American Chemical Society, 140(27), 8396-8400. https://doi.org/10.1021/jacs.8b04856
Vosegaard, T. (2018). iSpec: A Web-Based Activity for Spectroscopy Teaching. Journal of Chemical Education, 95(1), 97-103. https://doi.org/10.1021/acs.jchemed.7b00482
Fischer, K. F. F., Jørgensen, L. R., Reardon, H., Zhang, J. & Iversen, B. B. (2018). Is RuAs2 a candidate for high temperature thermoelectric applications? Physical Chemistry Chemical Physics, 20(15), 9930-9937. https://doi.org/10.1039/c8cp00820e
Jørgensen, L. R., Zeuthen, C. B., Reardon, H. & Iversen, B. B. (2018). Is SrZn2Sb2 a Realistic Candidate for High-Temperature Thermoelectric Applications? Journal of Physical Chemistry C, 122(10), 5317-5324. https://doi.org/10.1021/acs.jpcc.8b00037
Korablov, D., Besenbacher, F. & Jensen, T. R. (2018). Kinetics and thermodynamics of hydrogenation-dehydrogenation for Mg-25%TM (TM = Ti, Nb or V) composites synthesized by reactive ball milling in hydrogen. International Journal of Hydrogen Energy, 43(34), 16804-16814. https://doi.org/10.1016/j.ijhydene.2018.05.091
Frich, C. K., Andersen, A. H. F. & Zelikin, A. N. (2018). Langstidsvirkende lægemidler via polymer-albumin-konjugation. Dansk Kemi, 99(4), 10-12. http://ipaper.ipapercms.dk/TechMedia/DanskKemi/2018/?page=10
Miola, M., Hu, X. M., Brandiele, R., Bjerglund, E. T., Grønseth, D. K., Durante, C., Pedersen, S. U., Lock, N., Skrydstrup, T. & Daasbjerg, K. (2018). Ligand-free gold nanoparticles supported on mesoporous carbon as electrocatalysts for CO2 reduction. Journal of CO2 Utilization, 28, 50-58. https://doi.org/10.1016/j.jcou.2018.09.009
Bregnhøj, M., Rodal-Cedeira, S., Pastoriza-Santos, I. & Ogilby, P. R. (2018). Light Scattering versus Plasmon Effects: Optical Transitions in Molecular Oxygen near a Metal Nanoparticle. The Journal of Physical Chemistry Part C, 122(27), 15625-15634. https://doi.org/10.1021/acs.jpcc.8b03387
Dai, Y., Li, C., Shen, Y., Lim, T., Xu, J., Li, Y., Niemantsverdriet, H., Besenbacher, F., Lock, N. & Su, R. (2018). Light-tuned selective photosynthesis of azo- and azoxy-aromatics using graphitic C3N4. Nature Communications, 9(60), 1-7. Artikel 60. https://doi.org/10.1038/s41467-017-02527-8
Djajadi, D. T., Jensen, M. M., Oliveira, M., Jensen, A., Thygesen, L. G., Pinelo, M., Glasius, M., Jørgensen, H. & Meyer, A. S. (2018). Lignin from hydrothermally pretreated grass biomass retards enzymatic cellulose degradation by acting as a physical barrier rather than by inducing nonproductive adsorption of enzymes. Biotechnology for Biofuels, 11(1), Artikel 85. https://doi.org/10.1186/s13068-018-1085-0
Nedergaard Pedersen, J., Skov Pedersen, J. & Otzen, D. E. (2018). Liprotides assist in folding of outer membrane proteins. Protein Science, 27(2), 451-462. https://doi.org/10.1002/pro.3337
Andersen, A. H. F., Frich, C. K., Zuwala, K., Tolstrup, M., Dagnæs-Hansen, F., Denton, P. W. & Zelikin, A. N. (2018). Long-Acting, Potent Delivery of Combination Antiretroviral Therapy. ACS Macro Letters, 7(5), 587–591. https://doi.org/10.1021/acsmacrolett.8b00179
Lillethorup, T. P., GLUD, AN., Alstrup, A. K. O., Noer, O., Nielsen, E. H. T., Schacht, A. C., Landeck, N., Kirik, D., Orlowski, D., Sørensen, J. C. H., Doudet, D. J. & Landau, A. (2018). Longitudinal monoaminergic PET imaging of chronic proteasome inhibition in minipigs. Scientific Reports, 8(1), Artikel 15715. https://doi.org/10.1038/s41598-018-34084-5
Riber, C. F., Zuwala, K., Løvschall, K., Andersen, A. H. F., Sørensen, L., Gajda, P., Tolstrup, M. & Zelikin, A. N. (2018). Macromolecular prodrugs of ribavirin: Polymer backbone defines blood safety, drug release, and efficacy of anti-inflammatory effects. Journal of Controlled Release, 275(April), 53-66. https://doi.org/10.1016/j.jconrel.2018.02.012
Fang, L., Liu, R., Li, J., Xu, C., Huang, L.-Z. & Wang, D. (2018). Magnetite/Lanthanum hydroxide for phosphate sequestration and recovery from lake and the attenuation effects of sediment particles. Water Research, 130, 243-254. https://doi.org/10.1016/j.watres.2017.12.008
Klahn, E. A., Gao, C., Gillon, B., Gukasov, A., Fabreges, X., Piltz, R. O., Jiang, S. & Overgaard, J. (2018). Mapping the magnetic anisotropy at the atomic scale in dysprosium single molecule magnets. Chemistry - A European Journal, 24(62), 16576-16581. https://doi.org/10.1002/chem.201803300
Dalgaard, K., Eikeland, E. Z., Sist, M. & Iversen, B. B. (2018). Maximum Entropy Method Visualization of Disorder and Ion Migration in Thermoelectric Cu2‐δSe. Advanced Theory and Simulations, 1(9), 1800068 pg. 1-5. Artikel 1800068. https://doi.org/10.1002/adts.201800068
Jensen, F. (2018). Method Calibration or Data Fitting? Journal of Chemical Theory and Computation, 14(9), 4651-4661. https://doi.org/10.1021/acs.jctc.8b00477
Roth, N., F. May, A., Ye, F., Chakoumakos, B. & Iversen, B. B. (2018). Model-free reconstruction of magnetic correlations in frustrated magnets. IUCrJ, 5(4), 410-416. https://doi.org/10.1107/S2052252518006590
Ladefoged, L. K., Munro, L. J., Juel Pedersen, A., Lummis, S. C. R., Bang-Andersen, B., Balle, T., Schiøtt, B. & Kristensen, A. S. (2018). Modeling and mutational analysis of the binding mode for the multimodal antidepressant drug vortioxetine to the human 5-HT3A receptor. Molecular Pharmacology, 94(6), 1421-1434. https://doi.org/10.1124/mol.118.113530

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Institut for Kemi