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Institut for Kemi

Publikationer

Institut for Kemi er et af de mest produktive institutter på Aarhus Universitet. Der udgives et væld af artikler i videnskabelige tidsskrifter, som du finder herunder.

Publikationer fra Institut for Kemi

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Yu, J., Sondergaard-Pedersen, F., Mamakhel, A., Lamagni, P. & Iversen, B. B. (2019). Three-dimensional morphology of anatase nanocrystals obtained from supercritical flow synthesis with industrial grade TiOSO₄ precursor. Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 75, 1086-1095. https://doi.org/10.1107/S2052520619012733

Hansen, M. B., Madsen, N. K., Zoccante, A. & Christiansen, O. (2019). Time-dependent vibrational coupled cluster theory: Theory and implementation at the two-mode coupling level. The Journal of Chemical Physics, 151(15), Artikel 154116. https://doi.org/10.1063/1.5117207

Roelsgaard, M., Dippel, A.-C., Borup, K., Nielsen, I. G., Broge, N. L. N., Röh, J. T., Gutowski, O. & Iversen, B. B. (2019). Time-resolved grazing-incidence pair distribution functions during deposition by radio-frequency magnetron sputtering. IUCrJ, 6(2), 299-304. https://doi.org/10.1107/S2052252519001192

Nguyen, T. J. D., Manuguerra, I., Kumar, V. & Gothelf, K. V. (2019). Toehold-Mediated Strand Displacement in a Triplex Forming Nucleic Acid Clamp for Reversible Regulation of Polymerase Activity and Protein Expression. Chemistry - A European Journal, 25(53), 12303-12307. https://doi.org/10.1002/chem.201903496

Dnestryan, A. I., Tolstikhin, O. I., Jensen, F. & Madsen, L. B. (2019). Torsional effects in strong-field ionization of molecules. Physical Review Research , 1(2), Artikel 023018. https://doi.org/10.1103/PhysRevResearch.1.023018

Keshavarz, M., Ottesen, M., Wiedmann, S., Wharmby, M., Küchler, R., Yuan, H., Debroye, E., Steele, J. A., Martens, J., Hussey, N. E., Bremholm, M., Roeffaers, M. B. J. & Hofkens, J. (2019). Tracking Structural Phase Transitions in Lead-Halide Perovskites by Means of Thermal Expansion. Advanced Materials, 31(24), 1900521-1 til 1900521-8. Artikel 1900521. https://doi.org/10.1002/adma.201900521

Fischer, K. F. F., Roth, N. & Iversen, B. B. (2019). Transport properties and crystal structure of layered LaSb₂. Journal of Applied Physics, 125(4), 045110-1 - 045110-7. Artikel 045110. https://doi.org/10.1063/1.5081819

Grinderslev, J. B., Møller, K. T., Bremholm, M. & Jensen, T. R. (2019). Trends in Synthesis, Crystal Structure, and Thermal and Magnetic Properties of Rare-Earth Metal Borohydrides. Inorganic Chemistry, 58(9), 5503-5517. https://doi.org/10.1021/acs.inorgchem.8b03258

Xu, F., Yu, C., Tries, A., Zhang, H., Klaeui, M., Basse, K., Hansen, M. R., Bilbao, N., Bonn, M., Wang, H. I. & Mai, Y. (2019). Tunable Superstructures of Dendronized Graphene Nanoribbons in Liquid Phase. Journal of the American Chemical Society, 141(28), 10972-10977. https://doi.org/10.1021/jacs.9b04927

Bregnhøj, M., Strunge, K., Sørensen, R. J., Ströbele, M., Hummel, T., Meyer, H. J., Jensen, F. & Ogilby, P. R. (2019). Tungsten Iodide Clusters as Singlet Oxygen Photosensitizers: Exploring the Domain of Resonant Energy Transfer at 1 eV. The Journal of Physical Chemistry A, 123(9), 1730-1739. https://doi.org/10.1021/acs.jpca.9b00541

Madsen, M. R., Koefoed, L., Jensen, H., Daasbjerg, K. & Pedersen, S. U. (2019). Two-phase bipolar electrografting. Electrochimica Acta, 317, 61-69. https://doi.org/10.1016/j.electacta.2019.04.186

Bregnhøj, M. & Ogilby, P. R. (2019). Two-Photon Excitation of Neat Aerated Solvents with Visible Light Produces Singlet Oxygen. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 123(35), 7567-7575. https://doi.org/10.1021/acs.jpca.9b05517

Blom, J., Reyes Rodriguez, G. J., Tobiesen, H. N., Lamhauge, J. N., Iversen, M. V., Barløse, C. L., Hammer, N., Rusbjerg, M. & Jørgensen, K. A. (2019). Umpolung Strategy for α-Functionalization of Aldehydes for the Addition of Thiols and other Nucleophiles. Angewandte Chemie - International Edition, 58(49), 17856-17862. https://doi.org/10.1002/anie.201911793

Elm, J. (2019). Unexpected Growth Coordinate in Large Clusters Consisting of Sulfuric Acid and C ₈ H ₁₂ O ₆ Tricarboxylic Acid. The Journal of Physical Chemistry A, 123(14), 3170-3175. https://doi.org/10.1021/acs.jpca.9b00428

Shrivastava, M., Andreae, M. O., Artaxo, P., Barbosa, H. M. J., Berg, L. K., Brito, J., Ching, J., Easter, R. C., Fan, J., Fast, J. D., Feng, Z., Fuentes, J. D., Glasius, M., Goldstein, A. H., Alves, E. G., Gomes, H., Gu, D., Guenther, A., Jathar, S. H. ... Zhao, C. (2019). Urban pollution greatly enhances formation of natural aerosols over the Amazon rainforest. Nature Communications, 10(1), Artikel 1046. https://doi.org/10.1038/s41467-019-08909-4

Bregnhøj, M., Dichmann, L., McLoughlin, C. K., Westberg, M. & Ogilby, P. R. (2019). Uric Acid: A Less-than-Perfect Probe for Singlet Oxygen. Photochemistry and Photobiology, 95(1), 202-210. https://doi.org/10.1111/php.12971

Madsen, D., Christiansen, O., Norman, P. & Koenig, C. (2019). Vibrationally resolved emission spectra of luminescent conjugated oligothiophenes from anharmonic calculations. Physical Chemistry Chemical Physics, 21(31), 17410-17422. https://doi.org/10.1039/c9cp03039e

Bak, E. N., Larsen, M. G., Jensen, S. K., Nornberg, P., Moeller, R. & Finster, K. (2019). Wind-Driven Saltation: An Overlooked Challenge for Life on Mars. Astrobiology, 19(4), 497-505. https://doi.org/10.1089/ast.2018.1856

Yu, W., Hjerrild, P., Jacobsen, K. M., Tobiesen, H. N., Clemmensen, L. & Poulsen, T. B. (2018). A Catalytic Oxidative Quinone Heterofunctionalization Method: Synthesis of Strongylophorine-26. Angewandte Chemie - International Edition, 57(31), 9805-9809. https://doi.org/10.1002/anie.201805580

Sørensen, K. H., Jørgensen, M. S., Fusté, A. B. & Hammer, B. (2018). Accelerating atomic structure search with cluster regularization. Journal of Chemical Physics, 148(24), 241734. Artikel 241734. https://doi.org/10.1063/1.5023671

Kumar, C., Fliegl, H., Jensen, F., Teale, A. M., Reine, S. & Kjærgaard, T. (2018). Accelerating Kohn-Sham response theory using density fitting and the auxiliary-density-matrix method. International Journal of Quantum Chemistry, 118(16), Artikel e25639. https://doi.org/10.1002/qua.25639

Hoffmann, F., Mulder, F. A. A. & Schaefer, L. V. (2018). Accurate Methyl Group Dynamics in Protein Simulations with AMBER Force Fields. Journal of Physical Chemistry B, 122(19), 5038-5048. https://doi.org/10.1021/acs.jpcb.8b02769

Hansen-Bruhn, M., de Ávila, B. E. F., Beltrán-Gastélum, M., Zhao, J., Ramírez-Herrera, D. E., Angsantikul, P., Vesterager Gothelf, K., Zhang, L. & Wang, J. (2018). Active Intracellular Delivery of a Cas9/sgRNA Complex Using Ultrasound-Propelled Nanomotors. Angewandte Chemie - International Edition, 57(10), 2657-2661. https://doi.org/10.1002/anie.201713082

Abd El-Maksoud , A. A., H. Abd El-Ghany, I., S. El-Beltagi, H., Anankanbil, S., Banerjee, C., Petersen, S. V., Pérez, B. & Guo, Z. (2018). Adding functionality to milk-based protein: Preparation, and physico-chemical characterization of β-lactoglobulin-phenolic conjugates. Food Chemistry, 241, 281-289. https://doi.org/10.1016/j.foodchem.2017.08.101

Zeppelin, T., Ladefoged, L. K., Sinning, S., Periole, X. & Schiøtt, B. (2018). A direct interaction of cholesterol with the dopamine transporter prevents its out-to-inward transition. PLoS Computational Biology, 14(1), Artikel e1005907. https://doi.org/10.1371/journal.pcbi.1005907

Kjelstrup, M. V., Nielsen, L. D. F., Hansen-Bruhn, M. & Gothelf, K. V. (2018). A DNA-based assay for digoxin detection. Biosensors, 8(1), 19-30. https://doi.org/10.3390/bios8010019

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

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Institut for Kemi