Institut for Kemi

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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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dos Passos, J. S., Glasius, M. & Biller, P. (2020). Screening of common synthetic polymers for depolymerization by subcritical hydrothermal liquefaction. Process Safety and Environmental Protection, 139, 371-379. https://doi.org/10.1016/j.psep.2020.04.040
Yu, J., Godiksen, A. L., Mamakhel, M. A. H., Søndergaard-Pedersen, F. M., Rios-Carvajal, T., Marks, M., Lock, N., Rasmussen, S. B. & Iversen, B. B. (2020). Selective Catalytic Reduction of NO Using Phase-Pure Anatase, Rutile, and Brookite TiO2 Nanocrystals. Inorganic Chemistry, 59(20), 15324-15334. https://doi.org/10.1021/acs.inorgchem.0c02304
Wodarz, S., Slaby, N. A., Zimmermann, M. C., Otto, T. N., Holzinger, J., Skibsted, J., Zevaco, T. A., Pitter, S. & Sauer, J. (2020). Shaped Hierarchical H-ZSM-5 Catalysts for the Conversion of Dimethyl Ether to Gasoline. Industrial and Engineering Chemistry Research, 59(40), 17689-17707. https://doi.org/10.1021/acs.iecr.9b06256
Li, X., Xu, J., Li, Y., Kramer, S., Skrydstrup, T. & Lian, Z. (2020). Silylcarboxylic Acids as Bifunctional Reagents: Application in Palladium-Catalyzed External-CO-Free Carbonylative Cross-Coupling Reactions. Advanced Synthesis & Catalysis, 362(19), 4078-4083. https://doi.org/10.1002/adsc.202000586
Eikeland, E. Z., Borup, M., Thomsen, M. K., Roelsgaard, M., Overgaard, J., Spackman, M. A. & Iversen, B. B. (2020). Single-Crystal High-Pressure X-ray Diffraction Study of Host Structure Compression in Clathrates of Dianin's Compound. Crystal Growth & Design, 20(6), 4092-4099. https://doi.org/10.1021/acs.cgd.0c00360
Giglio, L. P., Picheth, G. F., Løvschall, K. B., Zelikin, A. N. & de Oliveira, M. G. (2020). S-nitrosothiol-terminated poly(vinyl alcohol): Nitric oxide release and skin blood flow response. Nitric Oxide: Biology and Chemistry, 98, 41-49. https://doi.org/10.1016/j.niox.2020.03.002
Bøjesen, E. D., Petersen, T. C., Martin, A. V., Weyland, M. & Liu, A. C. Y. (2020). Statistical measures of angular correlations in amorphous materials from electron nano-diffraction in the scanning/transmission electron microscope. JPhys Materials, 3(4), Artikel 044002. https://doi.org/10.1088/2515-7639/aba820
Tobiesen, H. N., Leth, L. A., Iversen, M. V., Naesborg, L., Bertelsen, S. & Jørgensen, K. A. (2020). Stereoselective Oxidative Bioconjugation of Amino Acids and Oligopeptides to Aldehydes. Angewandte Chemie - International Edition, 59(42), 18490-18494. https://doi.org/10.1002/anie.202008513
Domino, K., Johansen, M. B., Daasbjerg, K. & Skrydstrup, T. (2020). Stoichiometric Studies on the Carbonylative Trifluoromethylation of Aryl Pd(II) Complexes using TMSCF3 as the Trifluoromethyl Source. Organometallics, 39(5), 688-697. https://doi.org/10.1021/acs.organomet.9b00849
Grinderslev, J. B., Jepsen, L. H., Lee, Y. S., Møller, K. T., Cho, Y. W., Černý, R. & Jensen, T. R. (2020). Structural Diversity and Trends in Properties of an Array of Hydrogen-Rich Ammonium Metal Borohydrides. Inorganic Chemistry, 59(17), 12733-12747. https://doi.org/10.1021/acs.inorgchem.0c01797
Shen, J., Elm, J., Xie, H. B., Chen, J., Niu, J. & Vehkamäki, H. (2020). Structural Effects of Amines in Enhancing Methanesulfonic Acid-Driven New Particle Formation. Environmental Science & Technology, 54(21), 13498-13508. https://doi.org/10.1021/acs.est.0c05358
Hosseinpour, S., Roeters, S. J., Bonn, M., Peukert, W., Woutersen, S. & Weidner, T. (2020). Structure and Dynamics of Interfacial Peptides and Proteins from Vibrational Sum-Frequency Generation Spectroscopy. Chemical Reviews, 120(7), 3420-3465. https://doi.org/10.1021/acs.chemrev.9b00410
Hansen, B. K., Larsen, C. K., Nielsen, J. T., Svenningsen, E. B., Van, L. B., Jacobsen, K. M., Bjerring, M., Flygaard, R. K., Jenner, L. B., Nejsum, L. N., Brodersen, D. E., Mulder, F. A. A., Tørring, T. & Poulsen, T. B. (2020). Structure and Function of the Bacterial Protein Toxin Phenomycin. Structure, 28(5), 528-539.e9. https://doi.org/10.1016/j.str.2020.03.003
Triki, H., Nagy, B., Overgaard, J., Jensen, F. & Kamoun, S. (2020). Structure, DFT based investigations on vibrational and nonlinear optical behavior of a new guanidinium cobalt thiocyanate complex. Structural Chemistry, 31(1), 103-114. https://doi.org/10.1007/s11224-019-01380-3
Pedersen, J. N., Frislev, H. K. S., Pedersen, J. S. & Otzen, D. (2020). Structures and mechanisms of formation of liprotides. Biochimica et Biophysica Acta - Proteins and Proteomics, 1868(11), Artikel 140505. https://doi.org/10.1016/j.bbapap.2020.140505
Pal, S., Sommerfeldt, A., Davidsen, M. B., Hinge, M., Pedersen, S. U. & Daasbjerg, K. (2020). Synthesis and Closed-Loop Recycling of Self-Immolative Poly(dithiothreitol). Macromolecules, 53(12), 4685-4691. https://doi.org/10.1021/acs.macromol.0c00861
Grinderslev, J. B., Amdisen, M. B. & Jensen, T. R. (2020). Synthesis, crystal structures and thermal properties of ammine barium borohydrides. Inorganics, 8(10), Artikel 57. https://doi.org/10.3390/inorganics8100057
Madsen, N. K., Hansen, M. B., Worth, G. A. & Christiansen, O. (2020). Systematic and variational truncation of the configuration space in the multiconfiguration time-dependent Hartree method: the MCTDH[n] hierarchy. Journal of Chemical Physics, 152(8), Artikel 084101. https://doi.org/10.1063/1.5142459
Hyttinen, N., Heshmatnezhad, R., Elm, J., Kurtén, T. & Prisle, N. L. (2020). Technical note: Estimating aqueous solubilities and activity coefficients of mono- And α,ω-dicarboxylic acids using COSMOtherm. Atmospheric Chemistry and Physics, 20(21), 13131-13143. https://doi.org/10.5194/acp-20-13131-2020
Holm, K. A. U., Roth, N., Zeuthen, C. M., Tolborg, K., Feidenhans'l, A. A. & Iversen, B. B. (2020). Temperature dependence of dynamic dipole formation in PbTe. Physical Review B, 102(2), Artikel 024112. https://doi.org/10.1103/PhysRevB.102.024112
Ruckhofer, A., Campi, D., Bremholm, M., Hofmann, P., Benedek, G., Bernasconi, M., Ernst, W. E. & Tamtögl, A. (2020). Terahertz surface modes and electron-phonon coupling on Bi2Se3(111). Physical Review Research , 2(2), Artikel 023186. https://doi.org/10.1103/PhysRevResearch.2.023186
Kristensen, K., N. Jensen, L., L. J. Quéléver, L., Christiansen, S., Rosati, B., Elm, J., Teiwes, R., B. Pedersen, H., Glasius, M., Ehn, M. & Bilde, M. (2020). The Aarhus Chamber Campaign on Highly Oxygenated Organic Molecules and Aerosols (ACCHA): Particle formation, organic acids, and dimer esters from α-pinene ozonolysis at different temperatures. Atmospheric Chemistry and Physics, 20(21), 12549-12567. https://doi.org/10.5194/acp-20-12549-2020
Sørensen, D. R., Drejer, A. Ø., Karlsen, M. A., Nielsen, U. G., Heere, M., Senyshyn, A. & Ravnsbæk, D. B. (2020). The Effect of oxygen defects on the structural evolution of LiVPO4F1−yoy cathode materials. ACS Applied Energy Materials, 3(10), 9750-9759. https://doi.org/10.1021/acsaem.0c01348
Ickes, L., Porter, G. C. E., Wagner, R., Adams, M. P., Bierbauer, S., Bertram, A. K., Bilde, M., Christiansen, S., Ekman, A. M. L., Gorokhova, E., Höhler, K., Kiselev, A. A., Leck, C., Möhler, O., Murray, B. J., Schiebel, T., Ullrich, R. & Salter, M. E. (2020). The ice-nucleating activity of Arctic sea surface microlayer samples and marine algal cultures. Atmospheric Chemistry and Physics, 20(18), 11089-11117. Artikel 11089. https://doi.org/10.5194/acp-20-11089-2020
Andersen, K. H., Argyriou, D. N., Jackson, A. J., Houston, J., Henry, P. F., Deen, P. P., Toft-Petersen, R., Beran, P., Strobl, M., Arnold, T., Wacklin-Knecht, H., Tsapatsaris, N., Oksanen, E., Woracek, R., Schweika, W., Mannix, D., Hiess, A., Kennedy, S., Kirstein, O. ... Schreyer, A. (2020). The instrument suite of the European Spallation Source. Nuclear Instruments and Methods in Physics Research, Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, 957, Artikel 163402. https://doi.org/10.1016/j.nima.2020.163402
Yan, Y., Dononelli, W., Jørgensen, M., Grinderslev, J. B., Lee, Y. S., Cho, Y. W., Černý, R., Hammer, B. & Jensen, T. R. (2020). The mechanism of Mg2+ conduction in ammine magnesium borohydride promoted by a neutral molecule. Physical Chemistry Chemical Physics, 22(17), 9204-9209. https://doi.org/10.1039/d0cp00158a
Madsen, M. M., Jensen, F. & Thøgersen, J. (2020). The primary photo-dissociation dynamics of amino acids in aqueous solution: Breaking the Cα-bond. Physical Chemistry Chemical Physics, 22(4), 2307-2318. https://doi.org/10.1039/c9cp05836b
Pedersen, H. B., Elm, J., Frederiksen, C. H., Jessen, S. P. S., Teiwes, R. & Bilde, M. (2020). The reaction of isotope-substituted hydrated iodide I(H 182O)− with ozone: the reactive influence of the solvent water molecul. Physical Chemistry Chemical Physics, 22(34), 19080-19088. https://doi.org/10.1039/d0cp03219k
Juhl, D. W., Glattard, E., Lointier, M., Bampilis, P. & Bechinger, B. (2020). The Reversible Non-covalent Aggregation Into Fibers of PGLa and Magainin 2 Preserves Their Antimicrobial Activity and Synergism. Frontiers in cellular and infection microbiology, 10, Artikel 526459. https://doi.org/10.3389/fcimb.2020.526459
Hyttinen, N., Elm, J., Malila, J., Calderón, S. M. & Prisle, N. L. (2020). Thermodynamic properties of isoprene-and monoterpene-derived organosulfates estimated with COSMOtherm. Atmospheric Chemistry and Physics, 20(9), 5679-5696. https://doi.org/10.5194/acp-20-5679-2020
Carmona, F. J., Dal Sasso, G., Bertolotti, F., Ramírez-Rodríguez, G. B., Delgado-López, J. M., Pedersen, J. S., Masciocchi, N. & Guagliardi, A. (2020). The role of nanoparticle structure and morphology in the dissolution kinetics and nutrient release of nitrate-doped calcium phosphate nanofertilizers. Scientific Reports, 10(1), Artikel 12396. https://doi.org/10.1038/s41598-020-69279-2
Madsen, N. K. K., Hansen, M. B., Christiansen, O. & Zoccante, A. (2020). Time-dependent vibrational coupled cluster with variationally optimized time-dependent basis sets. Journal of Chemical Physics, 153(17), Artikel 174108. https://doi.org/10.1063/5.0024428
Klinting, E. L., Christiansen, O. & König, C. (2020). Toward Accurate Theoretical Vibrational Spectra: A Case Study for Maleimide. The Journal of Physical Chemistry A, 124(13), 2616-2627. https://doi.org/10.1021/acs.jpca.9b11915
Keshavarz, M., Debroye, E., Ottesen, M., Martin, C., Zhang, H., Fron, E., Küchler, R., Steele, J. A., Bremholm, M., Van de Vondel, J., Wang, H. I., Bonn, M., Roeffaers, M. B. J., Wiedmann, S. & Hofkens, J. (2020). Tuning the Structural and Optoelectronic Properties of Cs2AgBiBr6 Double-Perovskite Single Crystals through Alkali-Metal Substitution. Advanced Materials, 32(40), Artikel 2001878. https://doi.org/10.1002/adma.202001878
Guo, Y., Nuermaimaiti, A., Kjeldsen, N. D., Gothelf, K. V. & Linderoth, T. R. (2020). Two-Dimensional Coordination Networks from Cyclic Dipeptides. Journal of the American Chemical Society, 142(47), 19814-19818. https://doi.org/10.1021/jacs.0c08700
Uhd, J., Miotke, L., Ji, H. P., Dunaeva, M., Pruijn, G. J. M., Jørgensen, C. D., Kristoffersen, E. L., Birkedal, V., Yde, C. W., Nielsen, F. C., Hansen, J. & Astakhova, K. (2020). Ultra-fast detection and quantification of nucleic acids by amplification-free fluorescence assay. Analyst, 145(17), 5836-5844. https://doi.org/10.1039/d0an00676a
Peng, S. X., Cheng, Y., Pries, J., Wei, S., Yu, H. B. & Wuttig, M. (2020). Uncovering β-relaxations in amorphous phase-change materials. Science Advances, 6(2), Artikel eaay6726. https://doi.org/10.1126/sciadv.aay6726
Jørgensen, M., Shea, P. T., Tomich, A. E., Varley, J. B., Bercx, M., Lovera, S., Cerný, R., Zhou, W., Udovic, T. J., Lavallo, V., Jensen, T. R., Wood, B. C. & Stavila, V. (2020). Understanding Superionic Conductivity in Lithium and Sodium Salts of Weakly Coordinating Closo-Hexahalocarbaborate Anions. Chemistry of Materials, 32(4), 1475-1487. https://doi.org/10.1021/acs.chemmater.9b04383
Chen, X., Hu, X. M., Daasbjerg, K. & Ahlquist, M. S. G. (2020). Understanding the Enhanced Catalytic CO2 Reduction upon Adhering Cobalt Porphyrin to Carbon Nanotubes and the Inverse Loading Effect. Organometallics, 39(9), 1634-1641. https://doi.org/10.1021/acs.organomet.9b00726
Rasmussen, H. Ø., Enghild, J. J., Otzen, D. E. & Pedersen, J. S. (2020). Unfolding and partial refolding of a cellulase from the SDS-denatured state: From β-sheet to α-helix and back. B B A - General Subjects, 1864(1), 129434 1-12. Artikel 129434. https://doi.org/10.1016/j.bbagen.2019.129434
Zelikin, A. N. (2020). Unique enzymatic repertoire reveals the tumour. Nature Chemistry, 12, 11-12. https://doi.org/10.1038/s41557-019-0400-0
Wittig, N. K., Christensen, T. E. K., Grünewald, T. A. & Birkedal, H. (2020). Vase-like β-Polymorph Guanine Crystal Aggregates Formed at the Air-Water Interface. ACS Materials Letters, 2(5), 446-452. https://doi.org/10.1021/acsmaterialslett.9b00447
Juhl, D. W., Tosner, Z. & Vosegaard, T. (2020). Versatile NMR simulations using SIMPSON. Annual Reports on N M R Spectroscopy, 100(Chapter One), 1-59. https://doi.org/10.1016/bs.arnmr.2019.12.001
Klinting, E. L., Lauvergnat, D. & Christiansen, O. (2020). Vibrational Coupled Cluster Computations in Polyspherical Coordinates with the Exact Analytical Kinetic Energy Operator. Journal of Chemical Theory and Computation, 16(7), 4505-4520. https://doi.org/10.1021/acs.jctc.0c00261
Moitra, T., Madsen, D., Christiansen, O. & Coriani, S. (2020). Vibrationally resolved coupled-cluster xray absorption spectra from vibrational configuration interaction anharmonic calculations. The Journal of Chemical Physics, 153(23), Artikel 234111. https://doi.org/10.1063/5.0030202
Wei, S., Persch, C., Stolpe, M., Evenson, Z., Coleman, G., Lucas, P. & Wuttig, M. (2020). Violation of the Stokes–Einstein relation in Ge2Sb2Te5, GeTe, Ag4In3Sb67Te26, and Ge15Sb85, and its connection to fast crystallization. Acta Materialia, 195, 491-500. https://doi.org/10.1016/j.actamat.2020.05.044
Hadjadj, R., Csizmadia, I. G., Mizsey, P., Jensen, S. K., Viskolcz, B. & Fiser, B. (2020). Water enhanced mechanism for CO2 – Methanol conversion. Chemical Physics Letters, 746, Artikel 137298. https://doi.org/10.1016/j.cplett.2020.137298
Saha, D., Bøjesen, E. D., Mamakhel, A. H. & Iversen, B. B. (2020). Why Does Bi2WO6Visible-Light Photocatalyst Always Form as Nanoplatelets? Inorganic Chemistry, 59(13), 9364-9373. https://doi.org/10.1021/acs.inorgchem.0c01249
Kierspel, T., Morgan, A., Wiese, J., Mullins, T., Aquila, A., Barty, A., Bean, R., Boll, R., Boutet, S., Bucksbaum, P., Chapman, H. N., Christensen, L., Fry, A., Hunter, M., Koglin, J. E., Liang, M., Mariani, V., Natan, A., Robinson, J. ... Küpper, J. (2020). X-ray diffractive imaging of controlled gas-phase molecules: Toward imaging of dynamics in the molecular frame. Journal of Chemical Physics, 152(8), Artikel 084307. https://doi.org/10.1063/1.5133963
Mortazavinatanzi, S., Mirhosseini, M., Song, L., Brummerstedt Iversen, B., Rosendahl, L. & Rezania, A. (2020). Zinc antimonide thin film based flexible thermoelectric module. Materials Letters, 280, Artikel 128582. https://doi.org/10.1016/j.matlet.2020.128582

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Institut for Kemi