Publikationer

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Publikationer fra Institut for Kemi

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Du, J. J., Váradi, L., Williams, P. A., Groundwater, P. W., Overgaard, J., Platts, J. A. & Hibbs, D. E. (2016). An analysis of the experimental and theoretical charge density distributions of the piroxicam–saccharin co-crystal and its constituents. RSC Advances, 6(85), 81578-81590. https://doi.org/10.1039/C6RA10411H

Madsen, S. R., Moggach, S. A., Overgaard, J. & Brummerstedt Iversen, B. (2016). Anisotropic compressibility of the coordination polymer emim[Mn(btc)]. Acta Crystallographica Section B: Structural Science, 72(3), 389-394. https://doi.org/10.1107/S2052520616005515

Shen, Y., Birgisson, S. & Iversen, B. B. (2016). A P2-Na_xCo_0.7Mn_0.3O₂ (x ≈ 1.0) cathode material for Na-ion batteries with superior rate and cycle capability. Journal of Materials Chemistry A, 4(31), 12281-12288. https://doi.org/10.1039/c6ta03630a

Laursen, S., Jensen, M. T., Lindhardt, A. T., Jacobsen, M. F. & Skrydstrup, T. (2016). A Palladium-Catalyzed Double Carbonylation Approach to Isatins from 2-Iodoanilines. European Journal of Organic Chemistry, 2016(10), 1881-1885. https://doi.org/10.1002/ejoc.201600143

Ibsen, C. J. S., Chernyshov, D. & Birkedal, H. (2016). Apatite Formation from Amorphous Calcium Phosphate and Mixed Amorphous Calcium Phosphate/Amorphous Calcium Carbonate. Chemistry - A European Journal, 22(35), 12347-12357. https://doi.org/10.1002/chem.201601280

Vinding, M. S., Kessler, T. O. & Vosegaard, T. (2016). A Simple Low-Cost Single-Crystal NMR Setup. Journal of Magnetic Resonance, 269, 120-127. https://doi.org/10.1016/j.jmr.2016.06.004

Jensen, N. D., Bjerring, M. & Nielsen, U. G. (2016). A solid state NMR study of layered double hydroxides intercalated with para-amino salicylate, a tuberculosis drug. Solid State Nuclear Magnetic Resonance, 78, 9-15. https://doi.org/10.1016/j.ssnmr.2016.06.001

Eriksen, J. J., Matthews, D. A., Jørgensen, P. & Gauss, J. (2016). Assessment of the accuracy of coupled cluster perturbation theory for open-shell systems. II. Quadruples expansions. The Journal of Chemical Physics, 144(19), Artikel 194103. https://doi.org/10.1063/1.4948781

Eriksen, J. J., Matthews, D. A., Jørgensen, P. & Gauss, J. (2016). Assessment of the accuracy of coupled cluster perturbation theory for open-shell systems. I. Triples expansions. The Journal of Chemical Physics, 144(19), Artikel 194102. https://doi.org/10.1063/1.4948780

Halskov, K. S., Næsborg, L., Tur Espinosa, F. & Jørgensen, K. A. (2016). Asymmetric [3 + 2] Cycloaddition of Vinylcyclopropanes and α,β-Unsaturated Aldehydes by Synergistic Palladium and Organocatalysis. Organic Letters, 18(9), 2220-2223. https://doi.org/10.1021/acs.orglett.6b00852

Lauridsen, V. H., Ibsen, L., Blom, J. & Jørgensen, K. A. (2016). Asymmetric Brønsted Base Catalyzed and Directed [3+2] Cycloaddition of 2-Acyl Cycloheptatrienes with Azomethine Ylides. Chemistry - A European Journal, 22(10), 3259-3263. https://doi.org/10.1002/chem.201600255

Dematteis, E. M., Roedern, E., Pinatel, E. R., Corno, M., Jensen, T. R. & Baricco, M. (2016). A thermodynamic investigation of the LiBH₄-NaBH₄ system. RSC Advances, 6(65), 60101-60108. https://doi.org/10.1039/c6ra09301a

Skov, H., Bossi, R., Massling, A., Sørensen, L. L., Nøjgaard, J. K., Christensen, J. H., Hansen, K. M., Jensen, B. & Glasius, M. (2016). Atmospheric Pollution Research on Greenland. I Implications and Consequences of Anthropogenic Pollution in Polar Environments (s. 21-39). Springer.

Filsø, M., Eikeland, E., Zhang, J., Madsen, S. R. & Iversen, B. B. (2016). Atomic and electronic structure transformations in SnS₂ at high pressures: a joint single crystal X-ray diffraction and DFT study. Dalton Transactions, 45(9), 3798-3805. https://doi.org/10.1039/c5dt04532k

Straaso, L. A., Saleem, Q. & Hansen, M. R. (2016). A Toolbox of Solid-State NMR Experiments for the Characterization of Soft Organic Nanomaterials. Annual Reports on N M R Spectroscopy, 88, 307-383. https://doi.org/10.1016/bs.arnmr.2015.12.001

Kristensen, K., Eriksen, J. J., Matthews, D. A., Olsen, J. & Jørgensen, P. (2016). A view on coupled cluster perturbation theory using a bivariational Lagrangian formulation. The Journal of Chemical Physics, 144(6), Artikel 064103. https://doi.org/10.1063/1.4941605

Grube, E., Olesen, C. H., Ravnsbæk, D. B. & Jensen, T. R. (2016). Barium borohydride chlorides: synthesis, crystal structures and thermal properties. Dalton Transactions, 45(19), 8291-8299. https://doi.org/10.1039/c6dt00772d

Donslund, B., Nielsen, R. P., Mønsted, S. M. N. & Jørgensen, K. A. (2016). Benzofulvenes in Trienamine Catalysis: Stereoselective Spiroindene Synthesis. Angewandte Chemie, 55(37), 11124-11128. https://doi.org/10.1002/anie.201605079

Feinberg, H., Rambaruth, N. D. S., Jégouzo, S. A. F., Jacobsen, K. M., Djurhuus, R., Poulsen, T., Weis, W. I., Taylor, M. E. & Drickamer, K. (2016). Binding sites for acylated trehalose analogs of glycolipid ligands on an extended carbohydrate recognition domain of the macrophage receptor mincle. Journal of Biological Chemistry, 291(40), 21222-21233. https://doi.org/10.1074/jbc.M116.749515

Fapyane, D., Poulsen, C. H. & Ferapontova, E. E. (2016). Bioelectrocatalytic oxidation of glucose by hexose oxidase directly wired to graphite. Electrochemistry Communications, 65, 1-4. https://doi.org/10.1016/j.elecom.2016.01.012

Nørby, P., Ry Vogel Jørgensen, M., Johnsen, S. & Iversen, B. B. (2016). Bismuth Iodide Hybrid Organic-Inorganic Crystal Structures and Utilization in Formation of Textured BiI₃ Film. European Journal of Inorganic Chemistry, 9(9), 1389-1394. https://doi.org/10.1002/ejic.201501418

Gavezzotti, A. & Presti, L. L. (2016). Building blocks of crystal engineering: A large-database study of the intermolecular approach between C-H donor groups and O, N, Cl, or F acceptors in organic crystals. Crystal Growth & Design, 16(5), 2952-2962. https://doi.org/10.1021/acs.cgd.6b00305

Schlafer, S., Birkedal, H., Olsen, J., Skovgaard, J., Sutherland, D., Wejse, P. L., Nyvad, B. & Meyer, R. L. (2016). Calcium-phosphate-osteopontin particles for caries control. Biofouling, 32(4), 349-357. https://doi.org/10.1080/08927014.2016.1141199

He, F., Shi, C., Hu, X., Wang, R., Shi, Z., Li, Q., Li, P. & An, X. (2016). Calculation of chloride ion concentration in expressed pore solution of cement-based materials exposed to a chloride salt solution. Cement and Concrete Research, 89, 168-176. https://doi.org/10.1016/j.cemconres.2016.08.006

Schmüser, L., Encinas, N., Paven, M., Graham, D. J., Castner, D. G., Vollmer, D., Butt, H. J. & Weidner, T. (2016). Candle soot-based super-amphiphobic coatings resist protein adsorption. Biointerphases, 11(3), Artikel 031007. https://doi.org/10.1116/1.4959237

Sist, M., Hedegaard, E. M. J., Christensen, S., Bindzus, N., Fischer, K. F. F., Kasai, H., Sugimoto, K. & Iversen, B. B. (2016). Carrier concentration dependence of structural disorder in thermoelectric Sn1-xTe. IUCrJ, 3(5), 377-388. https://doi.org/10.1107/S2052252516012707

Høyvik, I. M. & Jørgensen, P. (2016). Characterization and Generation of Local Occupied and Virtual Hartree-Fock Orbitals. Chemical Reviews, 116(5), 3306-3327. https://doi.org/10.1021/acs.chemrev.5b00492

Hansen, M. B., Hubalek, F., Skrydstrup, T. & Hoeg-Jensen, T. (2016). Chemo- and Regioselective Ethynylation of Tryptophan-Containing Peptides and Proteins. Chemistry - A European Journal, 22(5), 1572-1576. https://doi.org/10.1002/chem.201504462

Madsen, R. B., Lappa, E., Christensen, P. S., Jensen, M. M., Klemmer, M., Becker, J., Iversen, B. B. & Glasius, M. (2016). Chemometric analysis of composition of bio-crude and aqueous phase from hydrothermal liquefaction of thermally and chemically pretreated Miscanthus x giganteus. Biomass & Bioenergy, 95, 137-145. https://doi.org/10.1016/j.biombioe.2016.10.003

Vu Quang, H., Vinding, M. S., Xia, D., Nielsen, T., Ullisch, M. G., Dong, M., Nielsen, N. C. & Kjems, J. (2016). Chitosan-coated Poly(lactic-co-glycolic acid) Perfluorooctyl Bromide Nanoparticles for Cell Labeling in 19F Magnetic Resonance Imaging. Carbohydrate Polymers, 136, 936-944. https://doi.org/10.1016/j.carbpol.2015.09.076

Zhao, D. F., Buchholz, A., Kortner, B., Schlag, P., Rubach, F., Fuchs, H., Kiendler-Scharr, A., Tillmann, R., Wahner, A., Watne, K., Hallquist, M., Flores, J. M., Rudich, Y., Kristensen, K., Hansen, A. M. K., Glasius, M., Kourtchev, I., Kalberer, M. & Mentel, T. F. (2016). Cloud condensation nuclei activity, droplet growth kinetics, and hygroscopicity of biogenic and anthropogenic secondary organic aerosol (SOA). Atmospheric Chemistry and Physics, 16(2), 1105-1121. https://doi.org/10.5194/acp-16-1105-2016

Callini, E., Atakli, Z. Ö. K., Hauback, B. C., Orimo, S. I., Jensen, C., Dornheim, M., Grant, D., Cho, Y. W., Chen, P., Hjörvarsson, B., de Jongh, P., Weidenthaler, C., Baricco, M., Paskevicius, M., Jensen, T. R., Bowden, M. E., Autrey, T. S. & Züttel, A. (2016). Complex and liquid hydrides for energy storage. Applied Physics A: Materials Science & Processing, 122(4), Artikel 353. https://doi.org/10.1007/s00339-016-9881-5

Halskov, K. S., Donslund, B., Paz, B. M. & Jørgensen, K. A. (2016). Computational Approach to Diarylprolinol-Silyl Ethers in Aminocatalysis. Accounts of Chemical Research, 49(5), 974-986. https://doi.org/10.1021/acs.accounts.6b00008

Skeby, K. K., Andersen, O. J., Pogorelov, T. V., Tajkhorshid, E. & Schiøtt, B. (2016). Conformational Dynamics of the Human Islet Amyloid Polypeptide in a Membrane Environment: Toward the Aggregation Prone Form. Biochemistry, 55(13), 2031-2042. https://doi.org/10.1021/acs.biochem.5b00507

Kaminský, J. & Jensen, F. (2016). Conformational Interconversions of Amino Acid Derivatives. Journal of Chemical Theory and Computation, 12(2), 694-705. https://doi.org/10.1021/acs.jctc.5b00911

Dey, D., Bhandary, S., Sirohiwal, A., Hathwar, V. R. & Chopra, D. (2016). "Conformational lock" via unusual intramolecular C-F⋯O=C and C-H⋯Cl-C parallel dipoles observed in in situ cryocrystallized liquids. Chemical Communications, 52(45), 7225-7228. https://doi.org/10.1039/c6cc02535h

Nørby, P., Jensen, K. M. Ø., Lock, N., Christensen, M. & Iversen, B. B. (2016). Continuous Flow Supercritical Water Synthesis and Temperature-Dependent Defect Structure Analysis of YAG and YbAG Nanoparticles. Crystal Growth & Design, 16(5), 2646-2652. https://doi.org/10.1021/acs.cgd.5b01761

Pedersen, T. H., Grigoras, I. F., Hoffmann, J., Toor, S. S., Daraban, I. M., Jensen, C. U., Iversen, S. B., Madsen, R. B., Glasius, M., Arturi, K., Nielsen, R., Søgaard, E. & Rosendahl, L. (2016). Continuous hydrothermal co-liquefaction of aspen wood and glycerol with water phase recirculation. Applied Energy, 162, 1034-1041. https://doi.org/10.1016/j.apenergy.2015.10.165

Hu, X., Salmi, Z., Lillethorup, M., Bjerglund Pedersen, E., Robert, M., Pedersen, S. U., Skrydstrup, T. & Daasbjerg, K. (2016). Controlled electropolymerisation of a carbazole-functionalised iron porphyrin electrocatalyst for CO2 reduction. Chemical Communications, 52(34), 5864-5867. https://doi.org/10.1039/C6CC00982D

Poulsen, P. H., Vergura, S., Ventura, A. M., Jørgensen, D. K. & Jørgensen, K. A. (2016). Controlling Asymmetric Remote and Cascade 1,3-Dipolar Cycloaddition Reactions by Organocatalysis. Journal of the American Chemical Society, 138(20), 6412-6415. https://doi.org/10.1021/jacs.6b03546

Westberg, M., Bregnhøj, M., Blazquez-Castro, A., Breitenbach, T., Etzerodt, M. & Ogilby, P. R. (2016). Control of Singlet Oxygen Production in Experiments Performed on Single Mammalian Cells. Journal of Photochemistry and Photobiology, A: Chemistry, 321, 297-308. https://doi.org/10.1016/j.jphotochem.2016.01.028

Eriksen, J. J., Kristensen, K., Matthews, D., Jørgensen, P. & Olsen, J. (2016). Convergence of coupled cluster perturbation theory. Journal of Chemical Physics, 145(22), Artikel 224104. https://doi.org/10.1063/1.4971294

Gargallo-Caballero, R., Martin-Garcia, L., Quesada, A., Granados-Miralles, C., Foerster, M., Aballe, L., Bliem, R., Parkinson, G. S., Blaha, P., Marco, J. F. & de la Figuera, J. (2016). Co on Fe₃O₄(001): Towards precise control of surface properties. Journal of Chemical Physics, 144(9), Artikel 094704. https://doi.org/10.1063/1.4942662

Lian, Z., Nielsen, D. U., Lindhardt, A. T., Daasbjerg, K. & Skrydstrup, T. (2016). Cooperative redox activation for carbon dioxide conversion. Nature Communications, 7, Artikel 13782 (2016). https://doi.org/10.1038/ncomms13782

Hellstern, H. C., Mamakhel, M. A. H., Bremholm, M. & Iversen, B. B. (2016). Core-shell nanoparticles by silica coating of metal oxides in a dual-stage hydrothermal flow reactor. Chemical Communications, 52(16), 3434-3437. https://doi.org/10.1039/c5cc09743f

Sist, M., Zhang, J. & Brummerstedt Iversen, B. (2016). Crystal structure and phase transition of thermoelectric SnSe. Acta Crystallographica Section B: Structural Science, 72(3), 310-316. https://doi.org/10.1107/S2052520616003334

Christiansen, T. L., Bojesen, E. D., Søndergaard, M., Birgisson, S., Becker, J. & Iversen, B. B. (2016). Crystal structure, microstructure and electrochemical properties of hydrothermally synthesised LiMn₂O₄. CrystEngComm, 18(11), 1996-2004. https://doi.org/10.1039/c5ce02358k

Hong, Z., Meulemeester, L. D., Jacobi, A., Pedersen, J. S., Morth, J. P., Andreasen, P. A. & Jensen, J. K. (2016). Crystal Structure of a Two-domain Fragment of Hepatocyte Growth Factor Activator Inhibitor-1: FUNCTIONAL INTERACTIONS BETWEEN THE KUNITZ-TYPE INHIBITOR DOMAIN-1 AND THE NEIGHBORING POLYCYSTIC KIDNEY DISEASE-LIKE DOMAIN. Journal of Biological Chemistry, 291(27), 14340-14355. https://doi.org/10.1074/jbc.M115.707240

Paskevicius, M., Filsø, U., Karimi, F., Puszkiel, J., Pranzas, P. K., Pistidda, C., Hoell, A., Welter, E., Schreyer, A., Klassen, T., Dornheim, M. & Jensen, T. R. (2016). Cyclic stability and structure of nanoconfined Ti-doped NaAlH₄. International Journal of Hydrogen Energy, 41(7), 4159-4167. https://doi.org/10.1016/j.ijhydene.2015.12.185

Leth, L., Glaus, F., Meazza, M., Fu, L., Thøgersen, M. K., Bitsch, E. A. & Jørgensen, K. A. (2016). Decarboxylative [4+2] Cycloaddition by Synergistic Palladium and Organocatalysis. Angewandte Chemie International Edition, 55(49), 15272-15276. https://doi.org/10.1002/anie.201607788

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