Publications

The Department of Chemistry is one of the most productive departments at Aarhus University. A considerable number of articles are published every year.

Publications from Department of Chemistry

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Chatterley, A. S., Christiansen, L., Schouder, C. A., Jørgensen, A. V., Shepperson, B., Cherepanov, I. N., Bighin, G., Zillich, R. E., Lemeshko, M. & Stapelfeldt, H. (2020). Rotational Coherence Spectroscopy of Molecules in Helium Nanodroplets: Reconciling the Time and the Frequency Domains. Physical Review Letters, 125(1), Article 013001. https://doi.org/10.1103/PhysRevLett.125.013001

Olagnier, D., Farahani, E., Thyrsted, J., Blay-Cadanet, J., Herengt, A., Idorn, M., Hait, A., Hernaez, B., Knudsen, A., Iversen, M. B., Schilling, M., Jørgensen, S. E., Thomsen, M., Reinert, L. S., Lappe, M., Hoang, H.-D., Gilchrist, V. H., Hansen, A. L., Ottosen, R. ... Holm, C. K. (2020). SARS-CoV2-mediated suppression of NRF2-signaling reveals potent antiviral and anti-inflammatory activity of 4-octyl-itaconate and dimethyl fumarate. Nature Communications, 11(1), Article 4938. https://doi.org/10.1038/s41467-020-18764-3

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), Article 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), Article 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), Article 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), Article 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), Article 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), Article 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 LiVPO₄F_1−yo_y 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. Article 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, Article 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 C_α-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, Article 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), Article 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), Article 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), Article 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), Article 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. Article 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), Article 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, Article 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

Displaying results 1351 to 1400 out of 5239

Revised 24.09.2025

Department of Chemistry