Department of Chemistry

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 Department of Chemistry Research Publications

Publications

The Department of Chemistry is one of the most productive departments at Aarhus University. A considerable number of articles are published every year. 

Publications from Department of Chemistry

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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
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
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
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
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, Article 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, Article 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), Article 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
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, Article 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
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), Article 114109. https://doi.org/10.1063/1.4913364
Varol, H. S., Sanchez, M. A., Lu, H., Baio, J. E., Malm, C., Encinas, N., Mermet-Guyennet, M. R. B., Martzel, N., Bonn, D., Bonn, M., Weidner, T., Backus, E. H. G. & Parekh, S. H. (2015). Multiscale Effects of Interfacial Polymer Confinement in Silica Nanocomposites. Macromolecules, 48(21), 7929-7937. https://doi.org/10.1021/acs.macromol.5b01111
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. In National High Magnetic Field Laboratory 2014 Annual Research Report (Vol. 311). National High Magnetic Field Laboratory. https://legacywww.magnet.fsu.edu/mediacenter/publications/reports/2014annualreport/2014-NHMFL-Report311.pdf
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. Article 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 and Advances, 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. Article 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), Article 121001. https://doi.org/10.1088/0953-4075/48/12/121001
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), Article 014102. https://doi.org/10.1063/1.4904754
Vigna, E. & Skibsted, J. (2015). Optimization of alkali activated Portland cement – calcined clay blends based on the phase assemblage in the Na2O-CaO-Al2O3-SiO2-H2O system. In K. Scrivener & A. Favier (Eds.), Calcined Clays for Sustainable Concrete: Proceedings of the 1st International Conference on Calcined Clays for Sustainable Concrete (pp. 101-107). Springer. https://doi.org/10.1007/978-94-017-9939-3_13
Eikeland, E., Blichfeld, A. B., Tyrsted, C., Jensen, A. & Iversen, B. B. (2015). Optimized Carbonation of Magnesium Silicate Mineral for CO2 Storage. A C S Applied Materials and Interfaces, 7(9), 5258-5264. https://doi.org/10.1021/am508432w
Oktaviani, N. A., Risør, M. W., Lee, Y.-H., Megens, R. P., de Jong, D. H., Otten, R., Scheek, R. M., Enghild, J. J., Nielsen, N. C., Ikegami, T. & Mulder, F. A. A. (2015). Optimized co-solute paramagnetic relaxation enhancement for the rapid NMR analysis of a highly fibrillogenic peptide. Journal of Biomolecular N M R, 62(2), 129-142. https://doi.org/10.1007/s10858-015-9925-8
Poulsen, P. H., Feu, K. S., Paz, B. M., Jensen, F. & Jørgensen, K. A. (2015). Organocatalytic Asymmetric 1,6-Addition/1,4-Addition Sequence to 2,4-Dienals for the Synthesis of Chiral Chromans. Angewandte Chemie International Edition, 54(28), 8203-8207. https://doi.org/10.1002/anie.201503370
Halskov, K. S., Kniep, F., Lauridsen, V. H., Iversen, E., Donslund, B. & Jørgensen, K. A. (2015). Organocatalytic Enamine-Activation of Cyclopropanes for Highly Stereoselective Formation of Cyclobutanes. Journal of the American Chemical Society, 137(4), 1685-1691. https://doi.org/10.1021/ja512573q
Xin, Z., Lescot, C., Friis, S. D., Daasbjerg, K. & Skrydstrup, T. (2015). Organocatalyzed CO2 trapping using alkynyl indoles. Angewandte Chemie International Edition, 54(23), 6862-6866. https://doi.org/10.1002/anie.201500233
Bach-Gansmo, F. L., Weaver, J. C., Jensen, M. H., Leemreize, H., Mader, K. S., Stampanoni, M., Brüel, A., Thomsen, J. S. & Birkedal, H. (2015). Osteocyte lacunar properties in rat cortical bone: Differences between lamellar and central bone. Journal of Structural Biology, 191(1), 59-67. https://doi.org/10.1016/j.jsb.2015.05.005
Funder, E. D., Trads, J. B. & Gothelf, K. V. (2015). Oxidative activation of dihydropyridine amides to reactive acyl donors. Organic & Biomolecular Chemistry, 13, 185-198. https://doi.org/10.1039/c4ob01931h
Lian, Z., Friis, S. D. & Skrydstrup, T. (2015). Palladium-catalysed carbonylative α-arylation of nitromethane. Chemical Communications, 51(17), 3600-3603. https://doi.org/10.1039/C5CC00123D, https://doi.org/10.1039/c5cc00123d
Makarov, I. S., Kuwahara, T., Jusseau, X., Ryu, I., Lindhardt, A. T. & Skrydstrup, T. (2015). Palladium-Catalyzed Carbonylative Couplings of Vinylogous Enolates: Application to Statin Structures. Journal of the American Chemical Society, 137(44), 14043-14046. https://doi.org/10.1021/jacs.5b09342
Torbensen, K., Kongsfelt, M., Shimizu, K., Bjerglund Pedersen, E., Skrydstrup, T., Pedersen, S. U. & Daasbjerg, K. (2015). Patterned Carboxylation of Graphene Using Scanning Electrochemical Microscopy. Langmuir, 31(15), 4443-4452. https://doi.org/10.1021/la504500m
Lian, Z., Yin, H., Friis, S. D. & Skrydstrup, T. (2015). Pd-Catalyzed Carbonylative Access to Aroyl Phosphonates from (Hetero)Aryl Bromides. Chemical Communications, 51, 7831-7834. https://doi.org/10.1039/c5cc02085a
Dai, Z., Kunther, W., Ferreiro, S., Herfort, D. & Skibsted, J. (2015). Phase assemblages in hydrated Portland cement, calcined clay and limestone blends from solid-state 27Al and 29Si MAS NMR, XRD, and thermodynamic modeling. In K. Scrivener & A. Favier (Eds.), Calcined Clays for Sustainable Concrete: Proceedings of the 1st International Conference on Calcined Clays for Sustainable Concrete (pp. 109-115). Springer. https://doi.org/10.1007/978-94-017-9939-3_14
Basiura-Cembala, M., Erlacher, K., Pedersen, J. S. & Goderis, B. (2015). Phase densities and lamellar morphologies of semicrystalline polyethylenes via absolute small-angle X-ray scattering measurements. Journal of Applied Crystallography, 48(5), 1498-1506. https://doi.org/10.1107/S1600576715014752
Jensen, S. R. H., Jepsen, L. H., Skibsted, J. & Jensen, T. R. (2015). Phase Diagram for the NaBH4-KBH4 System and the Stability of a Na1-xKxBH4 Solid Solution. The Journal of Physical Chemistry Part C, 119(50), 27919-27929. https://doi.org/10.1021/acs.jpcc.5b09851
Panneerselvam, K., Lynge, M. E., Riber, C. F., Mena-Hernando, S., Smith, A. A. A., Goldie, K. N., Zelikin, A. N. & Stadler, B. (2015). Phospholipid-polymer amphiphile hybrid assemblies and their interaction with macrophages. Biomicrofluidics, 9(5), Article 052610. https://doi.org/10.1063/1.4929405
Hršak, D., Khah, A. M., Christiansen, O. & Hättig, C. (2015). Polarizable Embedded RI-CC2 Method for Two-Photon Absorption Calculations. Journal of Chemical Theory and Computation, 11(8), 3669-3678. Article acs.jctc.5b00496. https://doi.org/10.1021/acs.jctc.5b00496
Zuwala, K., Smith, A. A. A., Postma, A., Guerrero-Sanchez, C., Ruiz Sanchis, P., Melchjorsen, J., Tolstrup, M. & Zelikin, A. N. (2015). Polymers Fight HIV: Potent (Pro)Drugs Identified Through Parallel Automated Synthesis. Advanced Healthcare Materials, 4(1), 46-50. https://doi.org/10.1002/adhm.201400148
Frølich, S., Leemreize, H., Thomsen, J. S. & Birkedal, H. (2015). Pore Structures in the Biomineralized Byssus of Anomia simplex. Key Engineering Materials, 672, 71-79. https://doi.org/10.4028/www.scientific.net/KEM.672.71

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Department of Chemistry