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Department of Chemistry

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 the Department of Chemistry

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Deen, G. R., Alsted, T. S. S., Richtering, W. & Pedersen, J. S. (2011). Synthesis and characterization of nanogels of poly(N-isopropylacrylamide) by a combination of light and small-angle X-ray scattering. Physical Chemistry Chemical Physics, 13(8), 3108-3114. https://doi.org/10.1039/C0CP01359E

Norek, M., Nielsen, T. K., Polanski, M., Kunce, I., Płociński, T., Jaroszewicz, L. R., Cerenius, Y., Jensen, T. R. & Bystrzycki, J. (2011). Synthesis and decomposition mechanisms of ternary Mg(2)CoH(5) studied using in situ synchrotron X-ray diffraction. International Journal of Hydrogen Energy, 36(17), 10760-10770. https://doi.org/10.1016/j.ijhydene.2011.05.126

Jensen, M., Schmidt, S., Fedosova, N., Mollenhauer, J. & Jensen, H. H. (2011). Synthesis and Evaluation of Cardiac Glycosides Mimics as Potential Anticancer Drugs. Bioorganic & Medicinal Chemistry, 19, 2407-2417.

Stanchev, S., Jensen, F., Hinkov, A., Atanasov, V., Genova-Kalou, P., Argirova, R. & Manolov, I. (2011). Synthesis and inhibiting activity of some 4-hydroxycoumarin derivatives on HIV-1 protease. ISRN Pharmaceutics. https://doi.org/10.5402/2011/137637

Monge, D., Jensen, K. L., Marín, I. & Jørgensen, K. A. (2011). Synthesis of 1,2,4-Triazolines Base-Catalyzed Hydrazination/Cyclization Cascade of α-Isocyano Esters and Amides. Organic Letters, 13(2), 328. https://doi.org/10.1021/ol102812c

Christensen, H., Schjøth-Eskensen, C., Jensen, M., Sinning, S. & Jensen, H. H. (2011). Synthesis of 3,7 disubstituted Imipramine Analogues via Palladium Catalysed Amination/Cyclisation and Evaluation of Their Inhibition of Monoamine Transporters. Chemistry - A European Journal, 17, 10618-10627.

Rasmussen, T. S., Jensen, H. H., Allman, S., Twigg, G. & Butters, T. (2011). Synthesis of N-alkylated noeurostegines and evaluation of their potential as treatment for Gaucher's disease. Bioorganic & Medicinal Chemistry, 21.

Jakobsen, H. J., Bildsøe, H. K., Skibsted, J., Brorson, M., Hung, I. & Gan, Z. (2011). Synthesis of ¹⁷O-Labeled Cs₂WO₄ and Its Ambient- and Low-Temperature Solid-State ¹⁷O MAS NMR Spectra. Inorganic Chemistry, 50, 7676-7684. https://doi.org/10.1021/ic200722a

Rasmussen, T. S., Koldsø, H., Nakagawa, S., Kato, A., Schiøtt, B. & Jensen, H. H. (2011). Synthesis of uronic-Noeurostegine –a potent bacterial β-glucuronidase inhibitor. Organic and Biomolecular Chemistry, 9, 7807-7813. https://doi.org/10.1039/C1OB06038D

Rude, L. H., Nielsen, T. K., Bomholdt Ravnsbæk, D., Bosenberg, U., Ley, M. B., Richter, B., Arnbjerg, L., Dornheim, M., Filinchuk, Y., Besenbacher, F. & Jensen, T. R. (2011). Tailoring properties of borohydrides for hydrogen storage: A review. Physica Status Solidi. A: Applications and Materials Science, 208(8). https://doi.org/10.1002/pssa.201001214

Kramer, S., Odabachian, Y., Overgaard, J., Rottländer, M., Gagosz, F. & Skrydstrup, T. (2011). Taking Advantage of the Ambivalent Reactivity of Ynamides in Gold Catalysis: A Rare Case of Alkyne Dimerization. Angewandte Chemie International Edition, 50(22), 5090-5094. https://doi.org/10.1002/anie.201100327

Albrecht, L. K., Ransborg, L. K., Lauridsen, V., Overgaard, M. K., Zweifel, T. & Jørgensen, K. A. (2011). Taming the Friedel-Crafts Reaction – An Organocatalytic Approach to Optically Active 2,3-Dihydrobenzofurans. Angewandte Chemie International Edition, 50(52), 12496-12500. https://doi.org/10.1002/anie.201105819

Lee, J. J., Fuller, R. O., Sobolev, A., Clausen, H. F., Overgaard, J., Koutsantonis, G., Iversen, B. B. & Spackman, M. (2011). Temperature-dependent crystal structure of the isopropanol clathrate of Dianin's compound. Chemical Communications, 47(7), 2029-2031. https://doi.org/10.1039/c0cc04418k

Dolatshahi-Pirouz, A., Kolman, N. B., Arpanaei, A., Foss, M., Chevallier, J., Kingshott, P., Baas, J., Søballe, K. & Besenbacher, F. (2011). The adsorption characteristics of osteopontin on hydroxyapatite and gold. Materials Science and Engineering C, 31(3), 514-522. https://doi.org/10.1016/j.msec.2010.10.011

Jiang, L., Svane, A. S. P., Sørensen, H. P., Jensen, J. K., Hosseini, M., Chen, Z., Weydert, C., Nielsen, J. T., Christensen, A., Yuan, C., Jensen, K. J., Nielsen, N. C., Malmendal, A., Huang, M. & Andreasen, P. (2011). The binding mechanism of a peptidic cyclic serine protease inhibitor. International Journal of Molecular Biology, 412(2), 235-50. https://doi.org/10.1016/j.jmb.2011.07.028

Olsen, J. (2011). The CASSCF Method: A Perspective and Commentary. International Journal of Quantum Chemistry, 111(13), 3267-3272.

Price, T. E. C., Grant, D. M., Weston, D., Hansen, T., Bomholdt Ravnsbæk, D., Arnbjerg, L., Jensen, T. R. & Walker, G. S. (2011). The Effect of H₂ Partial Pressure on the Reaction Progression and Reversibility of Lithium-Containing Multicomponent Destabilized Hydrogen Storage Systems. Journal of the American Chemical Society, 133(34), 13534-13538. https://doi.org/10.1021/ja204381n

Bergström, L. M., Skoglund, S., Danerlöv, K., Garamus, V. M. & Pedersen, J. S. (2011). The growth of micelles, and the transition to bilayers, in mixtures of a single-chain and a double-chain cationic surfactant investigated with small-angle neutron scattering. Soft Matter, 7(22), 10935-10944. https://doi.org/10.1039/C1SM05760J

Omiste, J. J., Gärttner, M., Schmelcher, P., González-Férez, R., Holmegaard, L., Nielsen, J. H., Stapelfeldt, H. & Küpper, J. (2011). Theoretical description of adiabatic laser alignment and mixed-field orientation: the need for a non-adiabatic model. Physical Chemistry Chemical Physics, 13, 18815-18824. https://doi.org/10.1039/C1CP21195A

Sneskov, K., Schwabe, T., Kongsted, J. & Christiansen, O. (2011). The polarizable embedding coupled cluster method. Journal of Chemical Physics, 134, 104108-104123. https://doi.org/10.1063/1.3560034

Christensen, A. N., Mosegaard, L., DiMasi, E., Cerenius, Y., Hauback, B. C. & Jensen, T. R. (2011). Thermally induced phase transitions of barium oxalates. Solid State Sciences. https://doi.org/10.1016/j.solidstatesciences.2011.04.013

Yin, H., Pedersen, B. L. & Iversen, B. B. (2011). Thermal Stability of High Performance Thermoelectric β-Zn₄Sb₃ in Argon. European Journal of Inorganic Chemistry, 17, 2733-2737. https://doi.org/10.1002/ejic.201100130

Nielsen, T. B., Hvidt, S., Keiding, S. R., Petersen, C., Westh, P. & Keiding, J. K. (2011). Thermodynamic investigations of methyl tert-butyl ether and water mixtures. Physical Chemistry Chemical Physics, 13(3), 1182-1188. https://doi.org/10.1039/c0cp00494d

Diakhate, M. S., Hermann, R. P., Möchel, A., Sergueev, I., Søndergaard, M., Christensen, M. & Verstraete, M. J. (2011). Thermodynamic, thermoelectric, and magnetic properties of FeSb₂: A combined first-principles and experimental study. Physical Review B, 84(12), 125210. https://doi.org/10.1103/PhysRevB.84.125210

Søndergaard, M., Christensen, M., Johnsen, S., Stiewe, C., Dasgupta, T., Mueller, E. & Iversen, B. B. (2011). Thermoelectric and microstructural properties of Pb_0.9−xSn_0.1Ge_xTe compounds prepared by spinodal decomposition. Journal of Solid State Chemistry, 184, 1172-1175. https://doi.org/10.1016/j.jssc.2011.02.028

Ma, Y., Ahlberg, E., Sun, Y., Iversen, B. B. & Palmquist, A. E. C. (2011). Thermoelectric Properties of Thin Films of Bismuth Telluride Electrochemically Deposited on Stainless Steel Substrates. Electrochimica Acta, 56(11), 4216-4223. https://doi.org/10.1016/j.electacta.2011.01.093

Carlos, L., Pedersen, B. W., Ogilby, P. R. & Martire, D. O. (2011). The role of humic acid aggregation on the kinetics of photosensitized singlet oxygen production and decay. Photochemical & Photobiological Sciences, 10, 1080-1086.

Debnath, D. K., Basaiawmoit, R. V., Nielsen, K. L. & Otzen, D. E. (2011). The role of membrane properties in Mistic folding and dimerisation. Protein Engineering, Design and Selection, 24(1-2), 89-97. https://doi.org/10.1093/protein/gzq095

Britz, D. (2011). The true history of adaptive grids in electrochemical simulation. Electrochimica Acta, 56(11), 4420-4421.

Kumar, J., Bousquet, A. & Stenzel, M. H. (2011). Thiol-alkyne chemistry for the preparation of micelles with glycopolymer corona: Dendritic surfaces versus linear glycopolymer in their ability to bind to lectins. Macromolecular Rapid Communications, 32(20), 1620-1626. https://doi.org/10.1002/marc.201100331

Lindballe, T. B., Kristensen, M. V., Kylling, A. P., Palima, D. Z., Glückstad, J., Keiding, S. R. & Stapelfeldt, H. (2011). Three-dimensional imaging and force characterization of multiple trapped particles in low NA counterpropagating optical traps. Journal of the European Optical Society - Rapid Publications, 6, 11057. https://doi.org/10.2971/jeos.2011.11057

Benedict, J. B., Makal, A., Sokolow, J. D., Trzop, E., Scheins, S., Henning, R., Graber, T. & Coppens, P. (2011). Time-resolved Laue diffraction of excited species at atomic resolution: 100 ps single-pulse diffraction of the excited state of the organometallic complex Rh(2)(mu-PNP)(2)(PNP)(2)center dot BPh(4). Chemical Communications, 47(6), 1704-1706. https://doi.org/10.1039/c0cc04997b

Hansen, J. L., Stapelfeldt, H., Dimitrovski, D., Abu-Samha, M., Martiny, C. P. J. & Madsen, L. B. (2011). Time-Resolved Photoelectron Angular Distributions from Strong-Field Ionization of Rotating Naphthalene Molecules. Physical Review Letters, 106(7), 073001. https://doi.org/10.1103/PhysRevLett.106.073001

Johnsen, S., Peter, S. C., Nguyen, S. L., Song, J.-H., Jin, H., Freeman, A. J. & Kanatzidis, M. G. (2011). Tl₂Hg₃Q₄ (Q = S, Se, and Te): High-Density, Wide-Band-Gap Semiconductors. Chemistry of Materials, 23(19), 4375-4383. https://doi.org/10.1021/cm2019857

Madsen, S. R., Lock, N., Overgaard, J. & Iversen, B. B. (2011). trans-Dibromidobis(1-ethyl-3-methylimidazol-2-ylidene)palladium(II). Acta Crystallographica Section E: Structure Reports Online, E67, m1205. https://doi.org/10.1107/S1600536811030480

Jia, Z.-J., Jiang, H., Li, J.-L., Gschwend, B., Li, Q.-Z., Grouleff, J., Chen, Y.-C. & Jørgensen, K. A. (2011). Trienamines in Asymmetric Organocatalysis: Diels-Alder and Tandem Reactions. Journal of the American Chemical Society, 133, 5053-5361. https://doi.org/10.1021/ja1112194

Chong, S.-F., Zelikin, A. N., Lee, J. H. & Caruso, F. (2011). Tuning the Permeability of Polymer Hydrogel Capsules: An Investigation of Cross-Linking Density, Membrane Thickness, and Cross-Linkers. Langmuir, 27, 1724-1730.

Sørensen, L. K., Olsen, J. & Fleig, T. (2011). Two- and four-component relativistic generalized-active-space coupled cluster method: Implementation and application to BiH. Journal of Chemical Physics, 134(21), 214102-1 - 214102-16.

Koldsø, H., Noer, P., Grouleff, J., Autzen, H. E., Sinning, S. & Schiøtt, B. (2011). Unbiased simulations reveal the inward-facing conformation of the human serotonin transporter and Na(+) ion release. PLoS Computational Biology, 7(10), e1002246. https://doi.org/10.1371/journal.pcbi.1002246

Koldsø, H., Noer, P. R., Grouleff, J., Autzen, H. E., Sinning, S. & Schiøtt, B. (2011). Unbiased simulations reveal the inward-facing conformation of the human serotonin transporter and Na⁺ ion release. PLoS Computational Biology, 7(10), e1002246. https://doi.org/10.1371/journal.pcbi.1002246

Sun, P., Søndergaard, M., Sun, Y., Johnsen, S., Iversen, B. B. & Steglich, F. (2011). Unchanged thermopower enhancement at the semiconductor-metal transition in correlated FeSb2-xTex. Applied Physics Letters, 98(7), 072105-1 - 072105-3. https://doi.org/10.1063/1.3556645

Rinza, T. R., Sneskov, K., Christiansen, O., Ryde, U. & Kongsted, J. (2011). Unraveling the similarity of the photoabsorption of deprotonated p-coumaric acid in the gas phase and within the photoactive yellow protein. Physical Chemistry Chemical Physics, 13, 1585-1589. https://doi.org/10.1039/C0CP01075H

Ceccato, M., Bousquet, A., Hinge, M., Pedersen, S. U. & Daasbjerg, K. (2011). Using a Mediating Effect in the Electroreduction of Aryldiazonium Salts To Prepare Conducting Organic Films of High Thickness. Chemistry of Materials, 23, 1551-1557.

Coriani, S., Thorvaldsen, A. J., Kristensen, K. & Jørgensen, P. (2011). Variational Response-function Formulation of Vibrational Circular Dichroism. Physical Chemistry Chemical Physics, 13, 4224-4229. https://doi.org/10.1039/C0CP02230F

Hansen, M. B. & Christiansen, O. (2011). Vibrational contributions to cubic response functions from vibrational configuration interaction response theory. Journal of Chemical Physics, 135(15), 154107. http://link.aip.org/link/?JCP/135/154107

Seidler, P., Sparta, M. & Christiansen, O. (2011). Vibrational coupled cluster response theory: A general implementation. Journal of Chemical Physics, 134, 054119–15.

Nielsen, J. B., Thøgersen, J., Jensen, S. K. & Keiding, S. R. (2011). Vibrational dynamics of deoxyguanosine 5[prime or minute]-monophosphate following UV excitation. Physical Chemistry Chemical Physics, 13(30), 13821-13826. https://doi.org/10.1039/C1CP20918C

Toffoli, D., Sparta, M. & Christiansen, O. (2011). Vibrational spectroscopy of hydrogen-bonded systems: Six-dimensional simulation of the IR spectrum of F-(H₂O) complex. Chemical Physics Letters, 510(1-3), 36–41.

Miiller, W., Christensen, M., Khan, A., Sharma, N., Macquart, R. B., Avdeev, M., McIntyre, G. J., Piltz, R. O. & Ling, C. D. (2011). YCa₃(VO)₃(BO3)4: A Kagomé Compound Based on Vanadium(III) with a Highly Frustrated Ground State. Chemistry of Materials, 23(5), 1315-1322. https://doi.org/10.1021/cm1034003

Lindhardt, A. T., Gøgsig, T., Gauthier, D., Lupp, D., Bjerglund, K. M. & Skrydstrup, T. (2010). 2-Pyridyl Tosylate Derivatives—Building Blocks for Structural Diversity via Transition Metal Catalysis. Israel Journal of Chemistry, 50(5-6), 558-567. https://doi.org/10.1002/ijch.201000031

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Department of Chemistry