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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Lai, Q., Paskevicius, M., Sheppard, D. A., Buckley, C. E., Thornton, A. W., Hill, M. R., Gu, Q., Mao, J., Huang, Z., Liu, H. K., Guo, Z., Banerjee, A., Chakraborty, S., Ahuja, R. & Aguey-Zinsou, K.-F. (2015). Hydrogen Storage Materials for Mobile and Stationary Applications: Current State of the Art. ChemSusChem, 8(17), 2789-2825. https://doi.org/10.1002/cssc.201500231
Javadian, P., Sheppard, D. A., Buckley, C. E. & Jensen, T. R. (2015). Hydrogen storage properties of nanoconfined LiBH4-Ca(BH4)2. Nano Energy, 11, 96-103. https://doi.org/10.1016/j.nanoen.2014.09.035
Javadian, P., Zlotea, C., Ghimbeu, C. M., Latroche, M. & Jensen, T. R. (2015). Hydrogen Storage Properties of Nanoconfined LiBH4-Mg2NiH4 Reactive Hydride Composites. The Journal of Physical Chemistry Part C, 119(11), 5819-5826. https://doi.org/10.1021/jp5117307
Javadian, P., Sheppard, D. A., Buckley, C. E. & Jensen, T. R. (2015). Hydrogen storage properties of nanoconfined LiBH4-NaBH4. International Journal of Hydrogen Energy, 40(43), 14916-14924. https://doi.org/10.1016/j.ijhydene.2015.08.075
Houlberg, K., Bøjesen, E. D., Tyrsted, C., Mamakhel, M. A. H., Wang, X., Su, R., Besenbacher, F. & Iversen, B. B. (2015). Hydrothermal Synthesis and in Situ Powder X-ray Diffraction Study of Bismuth-Substituted Ceria Nanoparticles. Crystal Growth & Design, 15(8), 3628-3636. https://doi.org/10.1021/acs.cgd.5b00678
Hansen, A. M. K., Hong, J., Raatikainen, T., Kristensen, K., Ylisirniö, A., Virtanen, A., Petäjä, T., Glasius, M. & Prisle, N. L. (2015). Hygroscopic properties and cloud condensation nuclei activation of limonene-derived organosulfates and their mixtures with ammonium sulfate. Atmospheric Chemistry and Physics, 15(24), 14071-14089. https://doi.org/10.5194/acp-15-14071-2015
Equbal, A., Bjerring, M., Madhu, P. K. & Nielsen, N. C. (2015). Improving spectral resolution in biological solid-state NMR using phase-alternated rCW heteronuclear decoupling. Chemical Physics Letters, 635, 339-344. https://doi.org/10.1016/j.cplett.2015.07.008
Muller, A. C. A., Scrivener, K. L., Skibsted, J., Gajewicz, A. M. & McDonald, P. J. (2015). Influence of silica fume on the microstructure of cement pastes: New insights from H-1 NMR relaxometry. Cement and Concrete Research, 74, 116-125. https://doi.org/10.1016/j.cemconres.2015.04.005
Kunther, W., Lothenbach, B. & Skibsted, J. (2015). Influence of the Ca/Si ratio of the C–S–H phase on the interaction with sulfate ions and its impact on the ettringite crystallization pressure. Cement and Concrete Research, 69, 37-49. https://doi.org/10.1016/j.cemconres.2014.12.002
Koldsø, H., Grouleff, J. & Schiøtt, B. (2015). Insights to ligand binding to the monoamine transporters-from homology modeling to LeuBAT and dDAT. Frontiers in Pharmacology, 6, Artikel 208. https://doi.org/10.3389/fphar.2015.00208
Andersen, H. L. & Christensen, M. (2015). In situ powder X-ray diffraction study of magnetic CoFe2O4 nanocrystallite synthesis. Nanoscale, 7(8), 3481-3490. https://doi.org/10.1039/c4nr06937d
Schmitt, J., Canilho, N., Impéror-Clerc, M., Blin, J.-L., Pedersen, J. S., Pérez, J., Lebeau, B., Vidal, L. & Stébé, M.-J. (2015). In Situ Small-Angle X-ray Scattering Investigation of the Formation of Dual-Mesoporous Materials. ChemPhysChem, 16(17), 3637-3641. https://doi.org/10.1002/cphc.201500642
Mi, J., Jensen, K. M. Ø., Tyrsted, C., Bremholm, M. & Iversen, B. B. (2015). In situ total X-ray scattering study of the formation mechanism and structural defects in anatase TiO2 nanoparticles under hydrothermal conditions. CrystEngComm, 17(36), 6868-6877. https://doi.org/10.1039/c5ce00544b
Hedegaard, E. R., Gouliaev, A., Winther, A. K., Arcanjo, D. D. R., Aalling, M., Sivasubramaniam, N., Wood, M. E., Whiteman, M., Jensen, N. S. & Simonsen, U. (2015). Involvement of K channels and calcium-independent mechanisms in hydrogen sulfide-induced relaxation of rat mesenteric small arteries. Journal of Pharmacology and Experimental Therapeutics. https://doi.org/10.1124/jpet.115.227017
Preus, S., Noer, S. L., Hildebrandt, L. L., Gudnason, D. & Birkedal, V. (2015). iSMS: single-molecule FRET microscopy software. Nature Methods, 12(7), 593-594. https://doi.org/10.1038/nmeth.3435
Kitahara, R. & Mulder, F. A. A. (2015). Is pressure-induced signal loss in NMR spectra for the Leu99Ala cavity mutant of T4 lysozyme due to unfolding? Proceedings of the National Academy of Sciences (PNAS), 112(9), Artikel E923. https://doi.org/10.1073/pnas.1423279112
Vosegaard, T. (2015). jsNMR: An Embedded Platform-Independent NMR Spectrum Viewer. Magnetic Resonance in Chemistry, 53(4), 285-290. https://doi.org/10.1002/mrc.4195
Grube, E., Jepsen, L. H. & Jensen, T. R. (2015). Komplekse metalhydrider: Nye multifunktionelle materialer. Dansk Kemi, 96(6/7), 18-21. http://ipaper.ipapercms.dk/TechMedia/DanskKemi/2015/67/?Page=18
Sun, P., Wei, B., Zhang, J., Tomczak, J. M., Strydom, A. M., Sondergaard, M., Iversen, B. B. & Steglich, F. (2015). Large Seebeck effect by charge-mobility engineering. Nature Communications, 6, Artikel 7475. https://doi.org/10.1038/ncomms8475
Eriksen, J. J., Baudin, P., Ettenhuber, P., Kristensen, K., Kjaergaard, T. & Jorgensen, P. (2015). Linear-Scaling Coupled Cluster with Perturbative Triple Excitations: The Divide-Expand-Consolidate CCSD(T) Model. Journal of Chemical Theory and Computation, 11(7), 2984-2993. https://doi.org/10.1021/acs.jctc.5b00086
Smith, A. A. A., Zuwala, K., Kryger, M., Wohl, B., Guerrero-Sanchez, C., Tolstrup, M., Postma, A. & Zelikin, A. N. (2015). Macromolecular prodrugs of ribavirin: towards a treatment for co-infection with HIV and HCV. Chemical Science, 6(1), 264-269. https://doi.org/10.1039/C4SC02754J
Stingaciu, M., Topole, M., McGuiness, P. & Christensen, M. (2015). Magnetic properties of ball-milled SrFe12O19 particles consolidated by Spark-Plasma Sintering. Scientific Reports, 5, Artikel 14112. https://doi.org/10.1038/srep14112
Richter, B., Ravnsbæk, D. B., Tumanov, N., Filinchuk, Y. & Jensen, T. R. (2015). Manganese borohydride; synthesis and characterization. Dalton Transactions , 44(9), 3988-96. https://doi.org/10.1039/c4dt03501a
Bindzus, N., Cargnoni, F., Gatti, C., Richter, B., Jensen, T. R., Takata, M. & Iversen, B. B. (2015). Mapping the complete bonding network in KBH4 using the combined power of powder diffraction and maximum entropy method. Computational and Theoretical Chemistry, 1053, 245-253. https://doi.org/10.1016/j.comptc.2014.09.014
Kraus, P. M., Mignolet, B., Baykusheva, D., Rupenyan, A., Horný, L., Penka, E. F., Grassi, G., Tolstikhin, O. I., Schneider, J., Jensen, F., Madsen, L. B., Bandrauk, A. D., Remacle, F. & Wörner , H. J. (2015). Measurement and laser control of attosecond charge migration in ionized iodoacetylene. Science, 350(6262), 790-795 . https://doi.org/10.1126/science.aab2160
Borup, K. A., Fischer, K. F. F., Brown, D. R., Snyder, G. J. & Iversen, B. B. (2015). Measuring anisotropic resistivity of single crystals using the van der Pauw technique. Physical Review B, 92(4), Artikel 045210. https://doi.org/10.1103/PhysRevB.92.045210
Borup, K., De Boor, J., Wang, H., Drymiotis, F., Gascoin, F., Shi, X., Chen, L., Fedorov, M. I., Müller, E., Iversen, B. B. & Snyder, G. J. (2015). Measuring thermoelectric transport properties of materials. Energy & Environmental Science, 8(2), 423-435. https://doi.org/10.1039/c4ee01320d
Korablov, D., Nielsen, T. K., Besenbacher, F. & Jensen, T. R. (2015). Mechanism and kinetics of early transition metal hydrides, oxides, and chlorides to enhance hydrogen release and uptake properties of MgH2. Powder Diffraction, 30(Suppl. S1), S9-S15. https://doi.org/10.1017/S0885715615000056
Ley, M. B., Roedern, E., Thygesen, P. M. M. & Jensen, T. R. (2015). Melting Behavior and Thermolysis of NaBH4−Mg(BH4)2 and NaBH4−Ca(BH4)2 Composites. Energies, 8(4), 2701-2713. https://doi.org/10.3390/en8042701
Paskevicius, M., Sheppard, D. A., Williamson, K. & Buckley, C. E. (2015). Metal hydride thermal heat storage prototype for concentrating solar thermal power. Energy, 88, 469-477. https://doi.org/10.1016/j.energy.2015.05.068
Pramanick, A., Wang, X. P., Hoffmann, C., Diallo, S. O., Jørgensen, M. R. V. & Wang, X.-L. (2015). Microdomain dynamics in single-crystal BaTiO3 during paraelectric-ferroelectric phase transition measured with time-of-flight neutron scattering. Physical Review B, 92, Artikel 174103. https://doi.org/10.1103/PhysRevB.92.174103
Jensen, B. E. B., Edlund, K. & Zelikin, A. N. (2015). Micro-structured, spontaneously eroding hydrogels accelerate endothelialization through presentation of conjugated growth factors. Biomaterials, 49, 113-124. https://doi.org/10.1016/j.biomaterials.2015.01.036
Petersen, C. R., Møller, U., Kubat, I., Zhou, B., Dupont, S., Ramsay, J., Benson, T., Sujecki, S., Abdel-Moneim, N., Tang, Z., Furniss, D., Seddon, A. & Bang, O. (2015). Mid-infrared supercontinuum generation spanning more than 11 μm in a chalcogenide step-index fiber. I CLEO: Science and Innovations, CLEO-SI 2015 (s. 2267). Optical Society of America (OSA). https://doi.org/10.1364/CLEO_SI.2015.SF2D.7
Pawlowski, F. L., Olsen, J. & Jørgensen, P. (2015). Molecular response properties from a Hermitian eigenvalue equation for a time-periodic Hamiltonian. Journal of Chemical Physics, 142(11), Artikel 114109. https://doi.org/10.1063/1.4913364
Grouleff, J., Ladefoged, L. K., Koldso, H. & Schiott, B. (2015). Monoamine transporters: insights from molecular dynamics simulations. Frontiers in Pharmacology, 6, Artikel 235. https://doi.org/10.3389/fphar.2015.00235
Cakir, S., Jasinska-Walc, L., Villani, M., Hansen, M. R. & Koning, C. E. (2015). Morphology and local chain structure of polyamide 6 modified in the solid state with a semi-aromatic nylon salt. Materials Today Communications, 2, e62-e69. https://doi.org/10.1016/j.mtcomm.2014.12.002
Jakobsen, S., Bereau, T. & Meuwly, M. (2015). Multipolar Force Fields and Their Effects on Solvent Dynamics around Simple Solutes. Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, 119(7), 3034-3045. https://doi.org/10.1021/jp508052q
Pramanick, A., Jørgensen, M. R. V., Diallo, S. O., Christianson, A. D., Fernandez-Baca, J. A., Hoffmann, C., Wang, X., Lan, S. & Wang, X.-L. (2015). Nanoscale Atomic Displacements Ordering for Enhanced Piezoelectric Properties in Lead-Free ABO3 Ferroelectrics. Advanced Materials, 27(29), 4330-4335. https://doi.org/10.1002/adma.201501274
Zhang, S., Bach-Gansmo, F. L., Xia, D., Besenbacher, F., Birkedal, H. & Dong, M. (2015). Nanostructure and mechanical properties of the osteocyte lacunar-canalicular network-associated bone matrix revealed by quantitative nanomechanical mapping. Nano Research, 8(10), 3250-3260. https://doi.org/10.1007/s12274-015-0825-8
Jakobsen, H. J., Brorson, M., Wu, G., Gan, Z. & Hung, I. (2015). NMR Crystallography: 17O RT MAS NMR of IO4- Ions Reveals 1J(17O-127l) and its Structure. I National High Magnetic Field Laboratory 2014 Annual Research Report (Bind 311). National High Magnetic Field Laboratory. https://legacywww.magnet.fsu.edu/mediacenter/publications/reports/2014annualreport/2014-NHMFL-Report311.pdf
Städe, L. W., Nielsen, T. T., Duroux, L., Hinge, M., Shimizu, K., Gurevich, L., Kristensen, P. K., Wingren, C. & Larsen, K. L. (2015). Nonfouling Tunable βCD Dextran Polymer Films for Protein Applications. A C S Applied Materials and Interfaces, 7(7), 4160-4168. https://doi.org/10.1021/am508350r
Olsen, J. (2015). Novel methods for configuration interaction and orbital optimization for wave functions containing non-orthogonal orbitals with applications to the chromium dimer and trimer. Journal of Chemical Physics, 143(11), Artikel 114102. https://doi.org/10.1063/1.4929724
Sørensen, M. K., Jensen, O., Bakharev, O. N., Nyord, T. & Nielsen, N. C. (2015). NPK NMR Sensor: Online Monitoring of Nitrogen, Phosphorus, and Potassium in Animal Slurry. Analytical Chemistry, 87(13), 6446-6450. https://doi.org/10.1021/acs.analchem.5b01924
Olsen, F. N., Tsakos, M. & Poulsen, T. B. (2015). Npys-Mediated Elimination Reactions of Alcohols and Thiols: A Facile Route to Dehydroalanine and Dehydrobutyrine Building Blocks. SYNLETT: Accounts and Rapid Communications in Chemical Synthesis, 26(19), 2697-2701. Artikel st-2015-b0596-l. https://doi.org/10.1055/s-0035-1560537
Christensen, S., Bindzus, N., Christensen, M. & Brummerstedt Iversen, B. (2015). Nuclear-weighted X-ray maximum entropy method - NXMEM. Acta Crystallographica Section A: Foundations of Crystallography, 71(1), 9-19. https://doi.org/10.1107/S2053273314024103
Kraus, P. M., Tolstikhin, O. I., Baykusheva, D., Rupenyan, A., Schneider, J., Bisgaard, C. Z., Morishita, T., Jensen, F., Madsen, L. B. & Wörner , H. J. (2015). Observation of laser-induced electronic structure in oriented polyatomic molecules. Nature Communications, 6, 1-8. Artikel 7039. https://doi.org/10.1038/ncomms8039
Dimitrovski, D., Maurer, J., Stapelfeldt, H. & Madsen, L. B. (2015). Observation of low-energy electrons in the photoelectron energy distribution from strong-field ionization of naphthalene by circularly polarized pulses. Journal of Physics B: Atomic, Molecular and Optical Physics, 48(12), Artikel 121001. https://doi.org/10.1088/0953-4075/48/12/121001
Cassinelli, V., Oberleitner, B., Sobotta, J., Nickels, P., Grossi, G., Kempter, S., Frischmuth, T., Liedl, T. & Manetto, A. (2015). One-Step Formation of "Chain-Armor"-Stabilized DNA Nanostructures. Angewandte Chemie International Edition, 54(27), 7795-7798. https://doi.org/10.1002/anie.201500561
Eriksen, J. J., Jørgensen, P. & Gauss, J. (2015). On the convergence of perturbative coupled cluster triples expansions: Error cancellations in the CCSD(T) model and the importance of amplitude relaxation. Journal of Chemical Physics, 142(1), Artikel 014102. https://doi.org/10.1063/1.4904754
Macetti, G., Rizzato, S., Beghi, F., Silvestrini, L. & Lo Presti, L. (2015). On the molecular basis of the activity of the antimalarial drug chloroquine: EXAFS-assisted DFT evidence of a direct Fe-N bond with free heme in solution. Physica Scripta, 91(2), Artikel 023001. https://doi.org/10.1088/0031-8949/91/2/023001

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Revideret 08.05.2026
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Institut for Kemi