Publikationer

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Publikationer fra Institut for Kemi

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Tamtögl, A., Pusterhofer, M., Bremholm, M., Hedegaard, E. M. J., Iversen, B. B., Hofmann, P., Ellis, J., Allison, W., Miret-Artés, S. & Ernst, W. E. (2018). A Helium-Surface Interaction Potential of Bi₂Te₃(111) from Ultrahigh-Resolution Spin-Echo Measurements. Surface Science, 678(12), 25 - 31. https://doi.org/10.1016/j.susc.2018.02.006

Pickering, J. D., Shepperson, B., Hübschmann, B. A. K., Thorning, F. & Stapelfeldt, H. (2018). Alignment and Imaging of the CS2 Dimer Inside Helium Nanodroplets. Physical Review Letters, 120(11), Artikel 113202. https://doi.org/10.1103/PhysRevLett.120.113202

Bunting, P. C., Atanasov, M., Damgaard-Møller, E., Perfetti, M., Crassee, I., Orlita, M., Overgaard, J., van Slageren, J., Neese, F. & Long, J. R. (2018). A linear cobalt(II) complex with maximal orbital angular momentum from a non-Aufbau ground state. Science, 362(6421), Artikel aat7319. https://doi.org/10.1126/science.aat7319

Ibsen, C. J. S., Leemreize, H., Mikladal, B. F., Skovgaard, J., Bremholm, M., Eltzholtz, J. R., Iversen, B. B. & Birkedal, H. (2018). Alkali Counterions Impact Crystallization Kinetics of Apatite Nanocrystals from Amorphous Calcium Phosphate in Water at High pH. Crystal Growth and Design, 18(11), 6723-6728. https://doi.org/10.1021/acs.cgd.8b01008

Huen, P. & Ravnsbæk, D. B. (2018). All-solid-state lithium batteries – The Mg₂FeH₆-electrode LiBH₄-electrolyte system. Electrochemistry Communications, 87, 81-85. https://doi.org/10.1016/j.elecom.2018.01.001

Madsen, D., Christiansen, O. & König, C. (2018). Anharmonic vibrational spectra from double incremental potential energy and dipole surfaces. Physical Chemistry Chemical Physics, 20(5), 3445-3456. https://doi.org/10.1039/c7cp07190f

Granados-Miralles, C., Saura-Múzquiz, M., Andersen, H. L., Quesada, A., Ahlburg, J. V., Dippel, A.-C., Canévet, E. & Christensen, M. (2018). Approaching Ferrite-Based Exchange-Coupled Nanocomposites as Permanent Magnets. ACS Applied Nano Materials, 1(7), 3693-3704. https://doi.org/10.1021/acsanm.8b00808

Krieger, U. K., Siegrist, F., Marcolli, C., Emanuelsson, E. U., Gøbel, F. M., Bilde, M., Marsh, A., Reid, J. P., Huisman, A. J., Riipinen, I., Hyttinen, N., Myllys, N., Kurtén, T., Bannan, T., Percival, C. J. & Topping, D. (2018). A reference data set for validating vapor pressure measurement techniques: Homologous series of polyethylene glycols. Atmospheric Measurement Techniques, 11(1), 49-63. https://doi.org/10.5194/amt-11-49-2018

Wang, D., Shi, C., Farzadnia, N., Shi, Z., Jia, H. & Ou, Z. (2018). A review on use of limestone powder in cement-based materials: Mechanism, hydration and microstructures. Construction and Building Materials, 181, 659-672. https://doi.org/10.1016/j.conbuildmat.2018.06.075

Yin, W., Ai, J., Huang, L.-Z., Tobler, D. J. & Hansen, H. C. B. (2018). A Silicate/Glycine Switch To Control the Reactivity of Layered Iron(II)-Iron(III) Hydroxides for Dechlorination of Carbon Tetrachloride. Environmental Science & Technology, 52(14), 7876-7883. https://doi.org/10.1021/acs.est.8b02020

Schmitz, G. A. & Christiansen, O. (2018). Assessment of the overlap metric in the context of RI-MP2 and atomic batched tensor decomposed MP2. Chemical Physics Letters, 701(8), 7-14. https://doi.org/10.1016/j.cplett.2018.04.014

Teiwes, R., Elm, J., Handrup, K., Jensen, E. P., Bilde, M. & Pedersen, H. B. (2018). Atmospheric chemistry of iodine anions: Elementary reactions of I^-, IO^-, and IO₂ ^- with ozone studied in the gas-phase at 300 K using an ion trap. Physical Chemistry Chemical Physics, 20(45), 28606-28615. https://doi.org/10.1039/c8cp05721d

Ma, F., Ding, Z., Elm, J., Xie, H. B., Yu, Q., Liu, C., Li, C., Fu, Z., Zhang, L. & Chen, J. (2018). Atmospheric Oxidation of Piperazine Initiated by ·cl: Unexpected High Nitrosamine Yield. Environmental Science & Technology, 52(17), 9801-9809. https://doi.org/10.1021/acs.est.8b02510

Freedman, M., Bilde, M., Donahue, N. M. & Glasius, M. (2018). Atmospheric surfaces. Environmental Science: Processes and Impacts, 20(11), 1498-1499. https://doi.org/10.1039/c8em90043d

Gionda, A., Macetti, G., Loconte, L., Rizzato, S., Orlando, A. M., Gatti, C. & Lo Presti, L. (2018). A variable-temperature X-ray diffraction and theoretical study of conformational polymorphism in a complex organic molecule (DTC). RSC Advances, 8(67), 38445-38454. https://doi.org/10.1039/c8ra08063a

Hu, Y., Xie, P., De Corato, M., Ruini, A., Zhao, S., Meggendorfer, F., Straasø, L. A., Rondin, L., Simon, P., Li, J., Finley, J. J., Hansen, M. R., Lauret, J. S., Molinari, E., Feng, X., Barth, J. V., Palma, C. A., Prezzi, D., Müllen, K. & Narita, A. (2018). Bandgap Engineering of Graphene Nanoribbons by Control over Structural Distortion. Journal of the American Chemical Society, 140(25), 7803-7809. https://doi.org/10.1021/jacs.8b02209

Olesen, M. T. J., Winther, A., Fejerskov, B., Dagnæs-Hansen, F., Simonsen, U. & Zelikin, A. N. (2018). Bi‐Enzymatic Embolization Beads for Two‐Armed Enzyme‐Prodrug Therapy. Advanced Therapeutics, 1(4), Artikel 1800023. https://doi.org/10.1002/adtp.201800023

Alhameedi, K., Karton, A., Jayatilaka, D. & Thomas, S. P. (2018). Bond orders for intermolecular interactions in crystals: charge transfer, ionicity and the effect on intramolecular bonds. IUCrJ, 5(5), 635-646. https://doi.org/10.1107/S2052252518010758

Lu, H., Lutz, H., Roeters, S. J., Hood, M. A., Schäfer, A., MunÌoz-Espí, R., Berger, R., Bonn, M. & Weidner, T. (2018). Calcium-Induced Molecular Rearrangement of Peptide Folds Enables Biomineralization of Vaterite Calcium Carbonate. Journal of the American Chemical Society, 140(8), 2793-2796. https://doi.org/10.1021/jacs.8b00281

Højgaard, C., Sørensen, H. V., Pedersen, J. S., Winther, J. R. & Otzen, D. E. (2018). Can a Charged Surfactant Unfold an Uncharged Protein? Biophysical Journal, 115(11), 2081-2086. https://doi.org/10.1016/j.bpj.2018.10.022

Andersen, T. L., Donslund, A. S., Neumann, K. T. & Skrydstrup, T. (2018). Carbonylative Coupling of Alkyl Zinc Reagents with Benzyl Bromides Catalyzed by a Nickel/NN₂ Pincer Ligand Complex. Angewandte Chemie International Edition, 57(3), 800-804. https://doi.org/10.1002/anie.201710089

Hammer, N., Erickson, J. D., Lauridsen, V. H., Jakobsen, J. B., Hansen, B. K., Jacobsen, K. M., Poulsen, T. & Jørgensen, K. A. (2018). Catalytic Asymmetric [4+2]‐Cycloadditions Using Tropolones: Developments, Scope, Transformations and Bioactivity. Angewandte Chemie International Edition, 57(40), 13216-13220. https://doi.org/10.1002/anie.201808221

Næsborg, L., Corti, V., Leth, L. A., Poulsen, P. H. & Jørgensen, K. A. (2018). Catalytic Asymmetric Oxidative γ-Coupling of α,β-Unsaturated Aldehydes with Air as the Terminal Oxidant. Angewandte Chemie - International Edition, 57(6), 1606-1610. https://doi.org/10.1002/anie.201711944

Donslund, B. S., Jessen, N. I., Bertuzzi, G., Giardinetti, M., Palazzo, T. A., Christensen, M. L. & Jørgensen, K. A. (2018). Catalytic Enantioselective [10+4] Cycloadditions. Angewandte Chemie - International Edition, 57(40), 13182-13186. https://doi.org/10.1002/anie.201807830

Blazquez-Castro, A., Breitenbach, T. & Ogilby, P. R. (2018). Cell Cycle Modulation through Subcellular Spatially Resolved Production of Singlet Oxygen via Direct 765 nm Irradiation: Manipulating the Onset of Mitosis. Photochemical & Photobiological Sciences, 17(10), 1310-1318. https://doi.org/10.1039/c8pp00338f

Zhang, J., Song, L., Sist, M., Tolborg, K. & Iversen, B. B. (2018). Chemical bonding origin of the unexpected isotropic physical properties in thermoelectric Mg₃Sb₂ and related materials. Nature Communications, 9(1), Artikel 4716. https://doi.org/10.1038/s41467-018-06980-x

Nielsen, D. U., Hu, X., Daasbjerg, K. & Skrydstrup, T. (2018). Chemically and electrochemically catalysed conversion of CO₂ to CO with follow-up utilization to value-added chemicals. Nature Catalysis, 1(4), 244–254. https://doi.org/10.1038/s41929-018-0051-3

Laursen, L., Kristensen, K. B., Periole, X., Overby, M., Müller, H. K., Schiøtt, B. & Sinning, S. (2018). Cholesterol binding to a conserved site modulates conformation, pharmacology and transport kinetics of the human serotonin transporter. Journal of Biological Chemistry, 293(10), 3510-3523. https://doi.org/10.1074/jbc.M117.809046

Hirvonen, V., Myllys, N., Kurtén, T. & Elm, J. (2018). Closed-Shell Organic Compounds Might Form Dimers at the Surface of Molecular Clusters. The Journal of Physical Chemistry A, 122(6), 1771-1780. https://doi.org/10.1021/acs.jpca.7b11970

H. Gjørup, F., Saura-Múzquiz, M., Ahlburg, J. V., Andersen, H. L. & Christensen, M. (2018). Coercivity enhancement of strontium hexaferrite nano-crystallites through morphology controlled annealing. Materialia, 4, 203-210. Artikel 22. https://doi.org/10.1016/j.mtla.2018.09.017

Walther, R., Nielsen, S. M., Christiansen, R., Meyer, R. L. & Zelikin, A. N. (2018). Combatting implant-associated biofilms through localized drug synthesis. Journal of Controlled Release, 287, 94-102. https://doi.org/10.1016/j.jconrel.2018.08.025

Burt, M., Amini, K., Lee, J. W. L., Christiansen, L., Johansen, R. R., Kobayashi, Y., Pickering, J. D., Vallance, C., Brouard, M. & Stapelfeldt, H. (2018). Communication: Gas-phase structural isomer identification by Coulomb explosion of aligned molecules. Journal of Chemical Physics, 148(9), 091102,1-091102,5. Artikel 091102. https://doi.org/10.1063/1.5023441

Chatterley, A. S., Karamatskos, E. T., Schouder, C., Christiansen, L., Vestergaard Jørgensen, A., Mullins, T., Küpper, J. & Stapelfeldt, H. (2018). Communication: Switched wave packets with spectrally truncated chirped pulses. Journal of Chemical Physics, 148(22), Artikel 221105. https://doi.org/10.1063/1.5028359

Németh, Z., Rosati, B., Zíková, N., Salma, I., Bozó, L., Dameto de España, C., Schwarz, J., Ždímal, V. & Wonaschütz, A. (2018). Comparison of atmospheric new particle formation events in three Central European cities. Atmospheric Environment, 178, 191-197. https://doi.org/10.1016/j.atmosenv.2018.01.035

Glasius, M., Hansen, A. M. K., Claeys, M., Henzing, J. S., Jedynska, A. D., Kasper-Giebl, A., Kistler, M., Kristensen, K., Martinsson, J., Maenhaut, W., Nojgaard, J. K., Spindler, G., Stenstrom, K. E., Swietlicki, E., Szidat, S., Simpson, D. & Yttri, K. E. (2018). Composition and sources of carbonaceous aerosols in Northern Europe during winter. Atmospheric Environment, 173, 127-141. https://doi.org/10.1016/j.atmosenv.2017.11.005

Anastasakis, K., Biller, P., Madsen, R. B., Glasius, M. & Johannsen, I. (2018). Continuous Hydrothermal Liquefaction of Biomass in a Novel Pilot Plant with Heat Recovery and Hydraulic Oscillation. Energies, 11(10), Artikel 2695. https://doi.org/10.3390/en11102695

Gudnason, D. A., Madsen, M., Krissanaprasit, A., Gothelf, K. V. & Birkedal, V. (2018). Controlled aggregation of DNA functionalized poly(phenylene-vinylene). Chemical Communications, 54(44), 5534-5537. https://doi.org/10.1039/c8cc00943k

Xia, G., Shen, S., Hu, X. M., Jiang, Z., Xu, K., Wang, M. & Wang, H. (2018). Controlling Crystal Structures and Multiple Thermo- and Vapochromic Behaviors of Benzimidazole-Based Squaraine Dyes by Molecular Design and Solvent Adjustment. Chemistry - A European Journal, 24(50), 13205-13212. https://doi.org/10.1002/chem.201801518

Huang, L. Z., Yin, Z., Cooper, N. G. A., Yin, W., Bjerglund, E. T., Strobel, B. W. & Hansen, H. C. B. (2018). Copper-mediated reductive dechlorination by green rust intercalated with dodecanoate. Journal of Hazardous Materials, 345, 18-26. https://doi.org/10.1016/j.jhazmat.2017.11.011

Allum, F., Burt, M., Amini, K., Boll, R., Köckert, H., Olshin, P. K., Bari, S., Bomme, C., Brauße, F., Cunha de Miranda, B., Düsterer, S., Erk, B., Géléoc, M., Geneaux, R., Gentleman, A. S., Goldsztejn, G., Guillemin, R., Holland, D. M. P., Ismail, I. ... Rolles, D. (2018). Coulomb explosion imaging of CH₃I and CH₂CII photodissociation dynamics. Journal of Chemical Physics, 149(20), 204313, 1-10. Artikel 204313. https://doi.org/10.1063/1.5041381

Andersen, H. L., Saura-Múzquiz, M., Granados, C., Canévet, E., Lock, N. & Christensen, M. (2018). Crystalline and magnetic structure-property relationship in spinel ferrite nanoparticles. Nanoscale, 10(31), 14902-14914. https://doi.org/10.1039/c8nr01534a

Rizzato, S., Moret, M., Beghi, F. & Lo Presti, L. (2018). Crystallization and structural properties of a family of isotopological 3D-networks: the case of a 4,4′-bipy ligand-M²⁺ triflate system. CrystEngComm, 20(26), 3784-3795. https://doi.org/10.1039/c8ce00653a

Le, T. T., Pistidda, C., Puszkiel, J., Castro Riglos, M. V., Karimi, F., Skibsted, J., Gharibdoust, S. P., Richter, B., Emmler, T., Milanese, C., Santoru, A., Hoell, A., Krumrey, M., Gericke, E., Akiba, E., Jensen, T. R., Klassen, T. & Dornheim, M. (2018). Design of a Nanometric AlTi Additive for MgB₂-Based Reactive Hydride Composites with Superior Kinetic Properties. Journal of Physical Chemistry C, 122(14), 7642-7655. https://doi.org/10.1021/acs.jpcc.8b01850

Bjelić, S., Yu, J., Iversen, B. B., Glasius, M. & Biller, P. (2018). Detailed Investigation into the Asphaltene Fraction of Hydrothermal Liquefaction Derived Bio-Crude and Hydrotreated Bio-Crudes. Energy & Fuels, 32(3), 3579-3587. https://doi.org/10.1021/acs.energyfuels.7b04119

Craven, M., Nygaard, M. H., Zadrozny, J. M., Long, J. R. & Overgaard, J. (2018). Determination of d-Orbital Populations in a Cobalt(II) Single-Molecule Magnet Using Single-Crystal X-ray Diffraction. Inorganic Chemistry, 57(12), 6913-6920. https://doi.org/10.1021/acs.inorgchem.8b00513

Jepsen, M. D. E., Sparvath, S. M., Nielsen, T. B., Langvad, A. H., Grossi, G., Gothelf, K. V. & Andersen, E. S. (2018). Development of a genetically encodable FRET system using fluorescent RNA aptamers. Nature Communications, 9(1), Artikel 18. https://doi.org/10.1038/s41467-017-02435-x

Aggelund, P. A., Sauer, S. P. A. & Jensen, F. (2018). Development of polarization consistent basis sets for spin-spin coupling constant calculations for the atoms Li, Be, Na, and Mg. Journal of Chemical Physics, 149(4), Artikel 044117. https://doi.org/10.1063/1.5034109

Heuckendorff, M. & Jensen, H. H. (2018). DIDMH in combination with triflic acid - A new promoter system for thioglycoside glycosyl donors. Carbohydrate Research, 455, 86-91. https://doi.org/10.1016/j.carres.2017.11.012

Periole, X., Zeppelin, T. & Schiøtt, B. (2018). Dimer Interface of the Human Serotonin Transporter and Effect of the Membrane Composition. Scientific Reports, 8(1), Artikel 22912. https://doi.org/10.1038/s41598-018-22912-7

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