Publikationer

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Publikationer fra Institut for Kemi

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Ramsay, J. S., Dupont, S. V. L., Johansen, M., Rishøj, L., Rottwitt, K., Moselund, P. M. & Keiding, S. R. (2013). Generation of infrared supercontinuum radiation: spatial mode dispersion and higher-order mode propagation in ZBLAN step-index fibers. Optics Express, 21(9), 10764-10771. https://doi.org/10.1364/OE.21.010764

Min, G., Bjerglund, K. M., Kramer, S., Gøgsig, T., Lindhardt, A. T. & Skrydstrup, T. (2013). Generation of Stoichiometric Ethylene and Isotopic Derivatives and Application in Transition Metal-Catalyzed Vinylation and Enyne Metathesis. Chemistry - A European Journal, 19(51), 17603–17607. https://doi.org/10.1002/chem.201303668

Christensen, S., Bjerg, L., Kaltzoglou, A., Juranyi, F., Unruh, T., Fässler, T. & Christensen, M. (2013). Guest host interaction and low energy host structure dynamics in tin clathrates. Journal of Applied Physics, 113(8), Artikel 084902. https://doi.org/10.1063/1.4793081

Jákli, I., Csizmadia, I. G., Fejer, S. N., Farkas, Ö., Viskolcz, B., Jensen, S. K. & Perczel, A. (2013). Helix compactness and stability: Electron structure calculations of conformer dependent thermodynamic functions. Chemical Physics Letters, 563, 80-87. https://doi.org/10.1016/j.cplett.2013.01.060

Sun, P., Xu, W., M. Tomczak, J., Kotliar, G., Søndergaard, M., B. Iversen, B. & Steglich, F. (2013). Highly dispersive electron relaxation and colossal thermoelectricity in the correlated semiconductor FeSb₂. Physical Review B, 88(24), 245203. https://doi.org/10.1103/physRevB.88.245203

Yin, H., Johnsen, S., Borup, K. A., Iversen, B. B., Kato, K. & Takata, M. (2013). Highly enhanced thermal stability of Zn₄Sb₃ nanocomposites. Chemical Communications, 49(58), 6540-6542. https://doi.org/10.1039/c3cc42340a

Wu, L.-C., Overgaard, J., Madsen, S. R., Schmøkel, M. S. & Iversen, B. B. (2013). High-pressure Single-crystal X-ray Diffraction Study of the Photomagnetic Switching Complex — [Y(DMF)₄(H₂O)₃(μ-CN)Fe(CN)₅]·H₂O. Journal of the Chinese Chemical Society, 60(7), 929-934. https://doi.org/10.1002/jccs.201300176

Hung, L. T., Nong, N. V., Han, L., Minh, D. L., Borup, K. A., Iversen, B. B., Pryds, N. & Linderoth, S. (2013). High-temperature thermoelectric properties of Ca_0.9Y_0.1Mn_1−xFe_xO₃ (0 ≤ x ≤ 0.25). Journal of Materials Science, 48(7), 2817-2822. https://doi.org/10.1007/s10853-012-6834-z

Lillethorup, M., Kongsfelt, M., Ceccato, M., Jensen, B. B. E., Jørgensen, B., Pedersen, S. U. & Daasbjerg, K. (2013). High- versus Low-Quality Graphene: A Mechanistic Investigation of Electrografted Diazonium-Based Films for Growth of Polymer Brushes. Small, 10(5), 922-934. https://doi.org/10.1002/smll.201301915

Sørensen, J., Palmer, D. S. & Schiøtt, B. (2013). Hot-Spot Mapping the Interactions between Chymosin and Bovine κ-Casein. Journal of Agricultural and Food Chemistry, 61(33), 7949-7959 . https://doi.org/10.1021/jf4021043

Thøgersen, J., Réhault, J., Odelius, M., Ogden, T., Jena, N. K., Jensen, S. K., Keiding, S. R. & Helbing, J. (2013). Hydration Dynamics of Aqueous Nitrate. Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, 117(12), 3376-3388. https://doi.org/10.1021/jp310090u

Guevara-Vela, J. M., Chávez-Calvillo, R., García-Revilla, M., Hernández-Trujillo, J., Christiansen, O., Francisco, E., MartínPendás, A. & Rocha-Rinza, T. (2013). Hydrogen-Bond Cooperative Effects in Small Cyclic Water Clusters as Revealed by the Interacting Quantum Atoms Approach. Chemistry - A European Journal, 19(42), 14304-14315. https://doi.org/10.1002/chem.201300656

Rude, L. H., Filsø, U., D’Anna, V., Spyratou, A., Richter, B., Hino, S., Zavorotynska, O., Baricco, M., Sørby, M. H., Hauback, B. C., Hagemann, H., Besenbacher, F., Skibsted, J. & Jensen, T. R. (2013). Hydrogen–fluorine exchange in NaBH₄–NaBF₄. Physical Chemistry Chemical Physics, 15, 18185-18194. https://doi.org/10.1039/c3cp52815d

Saldan, I., Schulze, M., Pistidda, C., Gosalawit-Utke, R., Zavorotynska, O., Rude, L. H., Skibsted, J., Haase, D., Cerenius, Y., Jensen, T. R., Spoto, G., Baricco, M., Taube, K. & Dornheim, M. (2013). Hydrogen sorption in the LiH-LiF-MgB₂ system. The Journal of Physical Chemistry Part C, 117(33), 17360-17366. https://doi.org/10.1021/jp405856s

Hansen, B. R. S., Ravnsbæk, D. B., Reed, D., Book, D., Gundlach, C., Skibsted, J. & Jensen, T. R. (2013). Hydrogen Storage Capacity Loss in a LiBH₄-Al Composite. The Journal of Physical Chemistry Part C, 117(15), 7423-7432. https://doi.org/10.1021/jp312480h

Callini, E., Pasquini, L., Jensen, T. R. & Bonetti, E. (2013). Hydrogen storage properties of Mg-Ni nanoparticles. International Journal of Hydrogen Energy, 38(27), 12207-12212. https://doi.org/10.1016/j.ijhydene.2013.05.139

Ångström, J., Johansson, R., Rude, L. H., Gundlach, C., Scheicher, R. H., Ahuja, R., Eriksson, O., Jensen, T. R. & Sahlberg, M. (2013). Hydrogen storage properties of the pseudo binary laves phase (Sc_1-xZr_x)(Co_1-yNi_y)₂ system. International Journal of Hydrogen Energy, 38(23), 9772-9778. https://doi.org/10.1016/j.ijhydene.2013.05.053

Skeby, K. K., Sørensen, J. & Schiøtt, B. (2013). Identification of a Common Binding Mode for Imaging Agents to Amyloid Fibrils from Molecular Dynamics Simulations. Journal of the American Chemical Society, 135(40), 15114–15128. https://doi.org/10.1021/ja405530p

Grøftehauge, M. K., Therkelsen, M. O., Taaning, R., Skrydstrup, T., Morth, J. P. & Nissen, P. (2013). Identifying ligand-binding hot spots in proteins using brominated fragments. Acta Crystallographica Section F:Structural Biology Communications, 69(Pt 9), 1060-1065. https://doi.org/10.1107/S1744309113018551

Pauw, B., Pedersen, J. S., Tardif, S., Takata, M. & Iversen, B. B. (2013). Improvements and considerations for size distribution retrieval from small-angle scattering data by Monte-Carlo methods. Journal of Applied Crystallography, 46(2), 365-371. https://doi.org/10.1107/S0021889813001295

Pentlehner, D., H. Nielsen, J., Slenczka, A., Mølmer, K. & Stapelfeldt, H. (2013). Impulsive Laser Induced Alignment of Molecules Dissolved in Helium Nanodroplets. Physical Review Letters, 110(9), 093002. https://doi.org/10.1103/PhysRevLett.110.093002

Dai, Z., Tran, T. T. & Skibsted, J. (2013). Incorporation of aluminum in the C-S-H phase for white Portland cement – metakaolin blends studied by 27Al and 29Si MAS NMR spectroscopy. I 33rd Cement and Concrete Science Conference Proceedings University of Portsmouth.

Elm, J., Bilde, M. & Mikkelsen, K. V. (2013). Influence of Nucleation Precursors on the Reaction Kinetics of Methanol with the OH Radical. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 117(30), 6695-6701. https://doi.org/10.1021/jp4051269

Erk, B., Rolles, D., Foucar, L., Rudek, B., Epp, S. W., Cryle, M., Bostedt, C., Schorb, S., Rouzee, A., Bozek, J., Hundertmark, A., Marchenko, T., Simon, M., Filsinger, F., Christensen, L., De, S., Trippel, S., Küpper, J., Stapelfeldt, H. ... Rudenko, A. (2013). Inner-shell multiple ionization of polyatomic molecules with an intense x-ray free-electron laser studied by coincident ion momentum imaging. Journal of Physics B: Atomic, Molecular and Optical Physics, 46(16), Artikel 164031. https://doi.org/10.1088/0953-4075/46/16/164031

Elm, J., Fard, M., Bilde, M. & Mikkelsen, K. V. (2013). Interaction of glycine with common atmospheric nucleation precursors. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 117(48), 12990-12997. https://doi.org/10.1021/jp408962c

Korablov, D., Ravnsbæk, D. B., Ban, V., Filinchuk, Y., Besenbacher, F. & Jensen, T. R. (2013). Investigation of MBH₄-VCl₂, M = Li, Na or K. International Journal of Hydrogen Energy, 38(20), 8376-8383. https://doi.org/10.1016/j.ijhydene.2013.04.119

Jepsen, L. H., Skibsted, J. & Jensen, T. R. (2013). Investigations of the thermal decomposition of MBH₄–2NH₃BH₃, M = Na, K. Journal of Alloys and Compounds, 580(1), 287-291. https://doi.org/10.1016/j.jallcom.2013.03.161

Bublitz, M., Musgaard, M., Poulsen, H., Thøgersen, L., Olesen, C., Schiøtt, B., Morth, P., Møller, J. V. & Nissen, P. (2013). Ion Pathways in the Sarcoplasmic Reticulum Ca²⁺-ATPase. Journal of Biological Chemistry, 288, 10759-10765. https://doi.org/10.1074/jbc.R112.436550

Song, J., Zhang, Z., Zhang, S., Liu, L., Li, Q., Xie, E., Gothelf, K. V., Besenbacher, F. & Dong, M. (2013). Isothermal Hybridization Kinetics of DNA Assembly of Two-Dimensional DNA Origami. Small, 9(17). https://doi.org/10.1002/smll.201202861

Hald, P. (2013). Kemiske våben. Fysik-kemi, 40(5), 10-12.

Holgate, T. C., Wu, N., Søndergaard, M., Iversen, B. B., Van Nong, N. & Pryds, N. (2013). Kinetics, Stability, and Thermal Contact Resistance of Nickel–Ca₃Co₄O₉ Interfaces Formed by Spark Plasma Sintering. Journal of Electronic Materials, 42(7), 1661-1668. https://doi.org/10.1007/s11664-012-2363-4

Kosicka, I., Gylling, A., Nielsson, L. D. & Kristensen, T. (2013). Kloning og ekspression og undersøgelse af funktionen af de tre sammenhængende DNA-bindende domæner fra den humane transcriptionsfaktor sp1. I Kloning og ekspression og undersøgelse af funktionen af de tre sammenhængende DNA-bindende domæner fra den humane transcriptionsfaktor sp1 (s. 1-42)

Iversen, B. B., Becker, J. & Overgaard, J. (2013). Krystallografi - kemikerens genfundne redskab. Aktuel Naturvidenskab, 5, 37-41. http://aktuelnaturvidenskab.dk/fileadmin/Aktuel_Naturvidenskab/nr-5/AN5_2013krystal.pdf

Pentlehner, D., Nielsen, J. H., Christiansen, L., Slenczka, A. & Stapelfeldt, H. (2013). Laser-induced adiabatic alignment of molecules dissolved in helium nanodroplets. Physical Review A, 87(6), Artikel 063401. https://doi.org/10.1103/PhysRevA.87.063401

Koldsø, H., Autzen, H. E., Grouleff, J. & Schiøtt, B. (2013). Ligand induced conformational changes of the human serotonin transporter revealed by molecular dynamics simulations. PLoS One, 8(6), Artikel e63635. https://doi.org/10.1371/journal.pone.0063635

Jensen, B. E. B., Rigau, L. H., Spycher, P., Reimhult, E., Stadler, B. M. & Zelikin, A. N. (2013). Lipogels: Surface-Adherent Composite Hydrogels Assembled from Poly(Vinyl Alcohol) and Liposomes. Nanoscale, 5(15), 6758-6766. https://doi.org/10.1039/c3nr01662e

Andreasen, S. Ø., Chong, S. F., Kryger, M., Jensen, B. E. B., Postma, A., Alves, M.-H., Stadler, B. M., Goldie, K. & Zelikin, A. N. (2013). Liposomal Templating, Association with Mammalian Cells, and Cytotoxicity of Poly(vinyl alcohol) Physical Hydrogel Nanoparticles. Particle & Particle Systems Characterization, 30(6), 514-522. https://doi.org/10.1002/ppsc.201200134

Madsen, M. E. L., Laursen, M. B., Rigau, L. H., Jensen, B. E. B., Ogaki, R., Smith, A. A. A., Zelikin, A. N. & Stadler, B. M. (2013). Liposomes as Drug Deposits in Multilayered Polymer Films. A C S Applied Materials and Interfaces, 5(8), 2967-2975. https://doi.org/10.1021/am4006868

Rojek, A., Füchtbauer, E.-M., Füchtbauer, A., Jelen, S., Malmendal, A., Fenton, R. A. & Nielsen, S. (2013). Liver-specific Aquaporin 11 knockout mice show rapid vacuolization of the rough endoplasmic reticulum in periportal hepatocytes after feeding amino acids. American Journal of Physiology: Gastrointestinal and Liver Physiology, 304(5), G501-G515. https://doi.org/10.1152/ajpgi.00208.2012

Høyvik, I.-M., Jansik, B., Kristensen, K. & Jørgensen, P. (2013). Local Hartree-Fock orbitals using a three-level optimization strategy for the energy. Journal of Computational Chemistry, 34(15), 1311-1320. https://doi.org/10.1002/jcc.23256

Høyvik, I.-M. & Jørgensen, P. (2013). Localized orbitals from basis sets augmented with diffuse functions. Journal of Chemical Physics, 138(20), Artikel 204104. https://doi.org/10.1063/1.4803456

Kryger, M. B. L., Wohl, B. M., Smith, A. A. A. & Zelikin, A. N. (2013). Macromolecular prodrugs of ribavirin combat side effects and toxicity with no loss of activity of the drug. Chemical Communications, 49(26), 2643-2645. https://doi.org/10.1039/c3cc00315a

Jørgensen, J.-E. & Sheptyakov, D. (2013). Magnetic ordering in Fe_1.087Te under pressure. European Physical Journal B. Condensed Matter and Complex Systems, 86(18). https://doi.org/10.1140/epjb/e2012-30528-9

Nielsen, S. E. B., Ruggenthaler, M. & van Leeuwen, R. (2013). Many-Body Quantum Dynamics from the Density. Europhysics Letters, 101(3), Artikel 33001. https://doi.org/10.1209/0295-5075/101/33001

Uzureau, P., Uzureau, S., Lecordier, L., Fontaine, F., Tebabi, P., Homblé, F., Grélard, A., Zhendre, V., Nolan, D. P., Lins, L., Crowet, J.-M., Pays, A., Felu, C., Poelvoorde, P., Vanhollebeke, B., Moestrup, S. K., Lyngsø, J., Pedersen, J. S., Mottram, J. C. ... Pays, E. (2013). Mechanism of Trypanosoma brucei gambiense resistance to human serum. Nature, 501(7467), 430-4. https://doi.org/10.1038/nature12516

Huot, J., Ravnsbæk, D., Zhang, J., Cuevas, F., Latroche, M. & Jensen, T. R. (2013). Mechanochemical synthesis of hydrogen storage materials. Progress in Materials Science, 58(1), 30-75. https://doi.org/10.1016/j.pmatsci.2012.07.001

Malmendal, A., Sørensen, J. G., Overgaard, J., Holmstrup, M., Nielsen, N. C. & Loeschcke, V. (2013). Metabolomic analysis of the selection response of Drosophila melanogaster to environmental stress: are there links to gene expression and phenotypic traits? Naturwissenschaften, 100, 417–427.

Nielsen, T. K., Karkamkar, A., Bowden, M., Besenbacher, F., Jensen, T. R. & Autrey, T. (2013). Methods to stabilize and destabilize ammonium borohydride. Dalton Transactions , 42(3), 680-687. https://doi.org/10.1039/C2DT31591B

Polanski, M., Nielsen, T. K., Kunce, I., Norek, M., Płociński, T., Jaroszewicz, L. R., Gundlach, C., Jensen, T. R. & Bystrzycki, J. (2013). Mg₂NiH₄ synthesis and decomposition reactions. International Journal of Hydrogen Energy, 38(10), 4003-4010. https://doi.org/10.1016/j.ijhydene.2013.01.119

Lieke, K. I., Rosenørn, T., Pedersen, J., Larsson, D., Kling, J., Fuglsang, K. & Bilde, M. (2013). Micro- and Nanostructural Characteristics of Particles Before and After an Exhaust Gas Recirculation System Scrubber. Aerosol Science and Technology, 47(9), 1038-1046. https://doi.org/10.1080/02786826.2013.813012

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Institut for Kemi