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Department of Chemistry

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 the Department of Chemistry

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Panda, A., Giska, F., Duncan, A. L., Welch, A. J., Brown, C., McAllister, R., Hariharan, P., Goder, J. N. D., Coleman, J., Ramakrishnan, S., Pincet, F., Guan, L., Krishnakumar, S., Rothman, J. E. & Gupta, K. (2023). Direct determination of oligomeric organization of integral membrane proteins and lipids from intact customizable bilayer. Nature Methods, 20(6), 891-897. https://doi.org/10.1038/s41592-023-01864-5

Mahant, S., Iversen, E. M., Kasparoglu, S., Bilde, M. & Petters, M. D. (2023). Direct measurement of the viscosity of ternary aerosol mixtures. Environmental Science: Atmospheres, 3(3), 595-607. https://doi.org/10.1039/d2ea00160h

Sandemann, J. R., Grønbech, T. B. E., Støckler, K. A. H., Ye, F., Chakoumakos, B. C. & Iversen, B. B. (2023). Direct Visualization of Magnetic Correlations in Frustrated Spinel ZnFe₂O₄. Advanced Materials, 35(5), Article 2207152. https://doi.org/10.1002/adma.202207152

Hasegawa, H., Matsuda, A., Morishita, T., Madsen, L. B., Jensen, F., Tolstikhin, O. I. & Hishikawa, A. (2023). Dissociative ionization and Coulomb explosion of CH₄ in two-color asymmetric intense laser fields. Physical Chemistry Chemical Physics, 25(37), 25408-25419. https://doi.org/10.1039/d3cp02337k

Roth, N. & Brummerstedt Iversen, B. (2023). Dynamic correlations and possible diffusion pathway in the superionic conductor Cu_2-xSe. IUCrJ, 10(2), 199-209. https://doi.org/10.1107/S2052252523001318

Zhang, J., Ishikawa, D., Koza, M. M., Nishibori, E., Song, L., Baron, A. Q. R. & Iversen, B. B. (2023). Dynamic Lone Pair Expression as Chemical Bonding Origin of Giant Phonon Anharmonicity in Thermoelectric InTe. Angewandte Chemie International Edition, 62(13), Article e202218458. https://doi.org/10.1002/anie.202218458

Aznauryan, M. & Birkedal, V. (2023). Dynamics of G-Quadruplex Formation under Molecular Crowding. The Journal of Physical Chemistry Letters, 14(46), 10354-10360. https://doi.org/10.1021/acs.jpclett.3c02453

Zelikin, A. N., Andersen, E. S. & Städler, B. (2023). Editorial for the Special Issue 'Synthetic Biology and Biomimicry'. Small, 19(13), Article 2301160. https://doi.org/10.1002/smll.202301160

Nakhaei, M., Khoshnoud, D. S., Bremholm, M., Nobre, M. A. L. & Khonakdar, H. A. (2023). Effects of Al doping on physical properties and photocatalytic activity of neodymium orthoferrite. Journal of Sol-Gel Science and Technology, 105(1), 246-265. https://doi.org/10.1007/s10971-022-05956-0

Narges Amini, A., Safdar Habibi, H. & Mohammadiparsa, N. (2023). Effects of Different Quenching Rate on the Various Properties of Fe–Si–B Amorphous Alloy Prepared by Melt Spinning Method. Glass Physics and Chemistry, 49(6), 617-624. https://doi.org/10.1134/S1087659622600752

Jensen, A. B., Højlund, M. G., Zoccante, A., Madsen, N. K. & Christiansen, O. (2023). Efficient time-dependent vibrational coupled cluster computations with time-dependent basis sets at the two-mode coupling level: Full and hybrid TDMVCC[2]. The Journal of Chemical Physics, 159(20), Article 204106. https://doi.org/10.1063/5.0175506

Huynh, T. P., Chen, Y., Bach-Gansmo, F. L., Dehli, J., Ibsen, V. N., Foss, M., Tvilum, A. S., Zelikin, A. N. & Birkedal, H. (2023). Efficient Wet Adhesion through Mussel-Inspired Proto-Coacervates. Advanced Materials Interfaces, 10(1), Article 2201491. https://doi.org/10.1002/admi.202201491

Leiszner, S. S., Chakarawet, K., Long, J. R., Nishibori, E., Sugimoto, K., Platts, J. A. & Overgaard, J. (2023). Electron Density Analysis of Metal-Metal Bonding in a Ni₄ Cluster Featuring Ferromagnetic Exchange. Inorganic Chemistry, 62(1), 192-200. https://doi.org/10.1021/acs.inorgchem.2c03170

Beyer, J., Grønbech, T. B. E., Zhang, J., Kato, K. & Iversen, B. B. (2023). Electron density and thermal motion of diamond at elevated temperatures. Acta Crystallographica Section A: Foundations and Advances, 79(Part 1), 41-50. https://doi.org/10.1107/S2053273322010154

Roeters, S. J., Strunge, K., Pedersen, K. B., Golbek, T. W., Bregnhøj, M., Zhang, Y., Wang, Y., Dong, M., Nielsen, J., Otzen, D. E., Schiøtt, B. & Weidner, T. (2023). Elevated concentrations cause upright alpha-synuclein conformation at lipid interfaces. Nature Communications, 14(1), Article 5731. https://doi.org/10.1038/s41467-023-39843-1

Grønbech, T. B. E., Krause, L., Ceresoli, D. & Iversen, B. B. (2023). Elucidating the superexchange mechanisms in magnetic coordination polymer [Co(HCOO)₂(H2O)₂]_∞ through chemical bonding analysis. Journal of Materials Chemistry C, 11(38), 12922-12932. https://doi.org/10.1039/D3TC01191G

Ričko, S., Bitsch, R. S., Kaasik, M., Otevrel, J., Højgaard Madsen, M., Keimer, A. & Jørgensen, K. A. (2023). Enantioconvergent 6π Electrocyclization Enabled by Photoredox Racemization. Journal of the American Chemical Society, 145(38), 20913–20926. https://doi.org/10.1021/jacs.3c06227

Otevrel, J., Eugui, M., Ričko, S. & Jørgensen, K. A. (2023). Enantioselective organocatalytic cycloadditions for the synthesis of medium-sized rings. Nature Synthesis, 2(12), 1142-1158. https://doi.org/10.1038/s44160-023-00416-1

Lamhauge, J. N., McLeod, D., Barløse, C., Oliver, G., Viborg, L., Warburg, T. & Jørgensen, K. A. (2023). Enantioselective Synthesis of Tropane Scaffolds by an Organocatalyzed 1,3-Dipolar Cycloaddition of 3-Oxidopyridinium Betaines and Dienamines. Chemistry - A European Journal, 29(49), Article e202301830. https://doi.org/10.1002/chem.202301830

Zajac, M., Maruyama, I., Iizuka, A. & Skibsted, J. (2023). Enforced carbonation of cementitious materials. Cement and Concrete Research, 174, Article 107285. https://doi.org/10.1016/j.cemconres.2023.107285

Zhou, C., Yan, Y. & Jensen, T. R. (2023). Enhanced Electrochemical Performance of the Li₂B₁₂H₁₂-Li₂B₁₀H₁₀-LiBH₄ Electrolyte. ACS Applied Energy Materials, 6(14), 7346–7352. https://doi.org/10.1021/acsaem.3c00411

Ma, F., Xie, H.-B., Zhang, R., Su, L., Jiang, Q., Tang, W., Chen, J., Engsvang, M., Elm, J. & He, X.-C. (2023). Enhancement of Atmospheric Nucleation Precursors on Iodic Acid-Induced Nucleation: Predictive Model and Mechanism. Environmental Science & Technology, 57(17), 6944-6954. https://doi.org/10.1021/acs.est.3c01034

Grünewald, T. A., Johannes, A., Wittig, N. K., Palle, J., Rack, A., Burghammer, M. & Birkedal, H. (2023). Erratum: Bone mineral properties and 3D orientation of human lamellar bone around cement lines and the Haversian system . IUCrJ, 10(Part 3), 376-376. https://doi.org/10.1107/S2052252523002695

Hong, W., Luthra, M., Jakobsen, J. B., Madsen, M. R., Castro, A. C., Hammershøj, H. C. D., Pedersen, S. U., Balcells, D., Skrydstrup, T., Daasbjerg, K. & Nova, A. (2023). Exploring the Parameters Controlling Product Selectivity in Electrochemical CO₂ Reduction in Competition with Hydrogen Evolution Employing Manganese Bipyridine Complexes. ACS Catalysis, 13(5), 3109-3119. https://doi.org/10.1021/acscatal.2c05951

Broge, N. L. N., Bertelsen, A. D., Søndergaard-Pedersen, F. & Iversen, B. B. (2023). Facile Solvothermal Synthesis of Pt-Ir-Pd-Rh-Ru-Cu-Ni-Co High-Entropy Alloy Nanoparticles. Chemistry of Materials, 35(1), 144-153. https://doi.org/10.1021/acs.chemmater.2c02842

Rasmussen, H. Ø., Kumar, A., Shin, B., Stylianou, F., Sewell, L., Xu, Y., Otzen, D. E., Pedersen, J. S. & Matthews, S. J. (2023). FapA is an Intrinsically Disordered Chaperone for Pseudomonas Functional Amyloid FapC. Journal of Molecular Biology, 435(2), Article 167878. https://doi.org/10.1016/j.jmb.2022.167878

Majland, M., Ettenhuber, P. & Zinner, N. T. (2023). Fermionic adaptive sampling theory for variational quantum eigensolvers. Physical Review A, 108(5), Article 052422 . https://doi.org/10.1103/PhysRevA.108.052422

Christensen, T. E. K., Chua, J. Q. I., Wittig, N. K., Jørgensen, M. R. V., Kantor, I., Thomsen, J. S., Miserez, A. & Birkedal, H. (2023). Flexible design in the stomatopod dactyl club. IUCrJ, 10(3), 288-296. https://doi.org/10.1107/S2052252523002075

Ng, C., Samanta, A., Mandrup, O. A., Tsang, E., Youssef, S., Klausen, L. H., Dong, M., Nijenhuis, M. A. D. & Gothelf, K. V. (2023). Folding Double-Stranded DNA into Designed Shapes with Triplex-Forming Oligonucleotides. Advanced Materials, 35(40), Article 2302497. https://doi.org/10.1002/adma.202302497

Pedersen, K., Christensen, L. G. & Jensen, H. H. (2023). Formation of β-Configured Thioglycosides of D-Glucosamine and D-Galactosamine and Synthesis of Protected Human Milk Oligosaccharides. Journal of Organic Chemistry, 88(17), 12531–12541. https://doi.org/10.1021/acs.joc.3c01267

Snellings, R., Suraneni, P. & Skibsted, J. (2023). Future and emerging supplementary cementitious materials. Cement and Concrete Research, 171, Article 107199. https://doi.org/10.1016/j.cemconres.2023.107199

Artiukhin, D. G., Godtliebsen, I. H., Schmitz, G. & Christiansen, O. (2023). Gaussian process regression adaptive density-guided approach: Toward calculations of potential energy surfaces for larger molecules. The Journal of Chemical Physics, 159(2), Article 024102. https://doi.org/10.1063/5.0152367

Højlund, M. G., Zoccante, A. & Christiansen, O. (2023). General exponential basis set parametrization: Application to time-dependent bivariational wave functions. The Journal of Chemical Physics, 158(20), Article 204104. https://doi.org/10.1063/5.0152601

Ulmer, A., Heilrath, A., Senfftleben, B., O'Connell-Lopez, S. M. O., Kruse, B., Seiffert, L., Kolatzki, K., Langbehn, B., Hoffmann, A., Baumann, T. M., Boll, R., Chatterley, A. S., De Fanis, A., Erk, B., Erukala, S., Feinberg, A. J., Fennel, T., Grychtol, P., Hartmann, R. ... Tanyag, R. M. P. (2023). Generation of Large Vortex-Free Superfluid Helium Nanodroplets. Physical Review Letters, 131(7), Article 076002. https://doi.org/10.1103/PhysRevLett.131.076002

Panda, D. P., Swain, D., Sarkar, S. & Sundaresan, A. (2023). Halogen Bond Induced Structural and Photophysical Properties Modification in Organic-Inorganic Hybrid Manganese Halides. The Journal of Physical Chemistry Letters, 14(18), 4211-4218. https://doi.org/10.1021/acs.jpclett.3c00656

Grinderslev, J. B., Skov, L. N. & Jensen, T. R. (2023). Hemi-methylamine lithium borohydride as electrolyte for all-solid-state batteries. Journal of Materials Chemistry A, 11(35), 18901–18910. https://doi.org/10.1039/d3ta03911k

Toropainen, A., Kangasluoma, J., Vehkamäki, H. & Kubečka, J. (2023). Heterogeneous Ion-Induced Nucleation of Water and Butanol Vapors Studied via Computational Quantum Chemistry beyond Prenucleation and Critical Cluster Sizes. The Journal of Physical Chemistry A, 127(18), 3976–3990. https://doi.org/10.1021/acs.jpca.3c00066

Bitsch, R. S., Jessen, N. I. & Jørgensen, K. A. (2023). Higher-Order Cycloaddition Reactions for the Construction of Polycyclic Aromatic and Polycyclic Heteroaromatic Compounds. Chemistry - A European Journal, 29(12), Article e202204008. https://doi.org/10.1002/chem.202204008

Zhou, C., Sun, H., Wang, Q., Grinderslev, J. B., Liu, D., Yan, Y. & Jensen, T. R. (2023). Highly electrochemically stable Li₂B₁₂H₁₂-Al₂O₃ nanocomposite electrolyte enabling A 3.8 V room-temperature all-solid-state Li-ion battery. Journal of Alloys and Compounds, 938, Article 168689. https://doi.org/10.1016/j.jallcom.2022.168689

Vijayan, H., Laursen, A. P., Stingaciu, M., Shyam, P., Gjørup, F. H., Simonsen, J. & Christensen, M. (2023). High-Performance Hexaferrite Ceramic Magnets Made from Nanoplatelets of Ferrihydrite by High-Temperature Calcination for Permanent Magnet Applications. ACS Applied Nano Materials, 6(10), 8156-8167. https://doi.org/10.1021/acsanm.2c05227

Parmar, V. S., Thiel, A. M., Norre, M. S. & Overgaard, J. (2023). High-Pressure Investigation of a Five-Coordinate Dy Single-Molecule Magnet. Crystal Growth and Design, 23(9), 6410-6417. https://doi.org/10.1021/acs.cgd.3c00410

Plerdsranoy, P., Dansirima, P., Jensen, T. R. & Utke, R. (2023). Hydrogen sorption properties of Li–N–F–H pellets in laboratory and small tank scales. International Journal of Hydrogen Energy, 48(73), 28435-28444. https://doi.org/10.1016/j.ijhydene.2023.03.462

Ulucan, T. H., Akhade, S. A., Ambalakatte, A., Autrey, T., Cairns, A., Chen, P., Cho, Y. W., Gallucci, F., Gao, W., Grinderslev, J. B., Grubel, K., Jensen, T. R., de Jongh, P. E., Kothandaraman, J., Lamb, K. E., Lee, Y. S., Makhloufi, C., Ngene, P., Olivier, P. ... Weidenthaler, C. (2023). Hydrogen storage in liquid hydrogen carriers: recent activities and new trends. Progress in Energy, 5(1), Article 012004. https://doi.org/10.1088/2516-1083/acac5c

Kolodiazhnaia, I., Guðmundsson, H. G., Pedersen, S. S. & Skrydstrup, T. (2023). Ex-Situ Generation of Bis(trifluoromethyl)disulfide and Applications to Trifluoromethylthiolation Reactions. European Journal of Organic Chemistry, 26(44), Article e202300843. https://doi.org/10.1002/ejoc.202300843

Isakov, M., Langi, V., Pun, L., Soares, G. C., Kantor, I., Jørgensen, M. R. V. & Hokka, M. (2023). In-Situ X-ray Diffraction Analysis of Metastable Austenite Containing Steels Under Mechanical Loading at a Wide Strain Rate Range. Metallurgical and Materials Transactions A: Physical Metallurgy and Materials Science, 54(4), 1320-1331. https://doi.org/10.1007/s11661-023-06986-1

Nielsen, I. G., Kløve, M., Roelsgaard, M., Dippel, A. C. & Iversen, B. B. (2023). In situ X-ray diffraction study of the solvothermal formation mechanism of gallium oxide nanoparticles. Nanoscale, 15(11), 5284-5292. https://doi.org/10.1039/d2nr07128b

Busk, M., Eggertsen, P. P., Overgaard, J., Horsman, M. R., Tørring, T., Jacobsen, K. M. & Poulsen, T. B. (2023). In Vitro Characterization of the Bacteria-derived Hypoxia-selective Cytotoxin BE-₄₃₅₄₇. Anticancer Research, 43(12), 5319-5329. https://doi.org/10.21873/anticanres.16735

Henke, P., Rindom, C., Aryal, U. K., Jespersen, M. F., Broløs, L., Mansø, M., Turkovic, V., Madsen, M., Mikkelsen, K. V., Ogilby, P. R. & Nielsen, M. B. (2023). Imparting Stability to Organic Photovoltaic Components through Molecular Engineering: Mitigating Reactions with Singlet Oxygen. ChemSusChem, 16(12), Article e202202320. https://doi.org/10.1002/cssc.202202320

Wu, H., Engsvang, M., Knattrup, Y., Kubečka, J. & Elm, J. (2023). Improved Configurational Sampling Protocol for Large Atmospheric Molecular Clusters. ACS Omega, 8(47), 45065-45077. https://doi.org/10.1021/acsomega.3c06794

Parmar, V. S., Thiel, A. M., Nabi, R., Gransbury, G. K., Norre, M. S., Evans, P., Corner, S. C., Skelton, J. M., Chilton, N. F., Mills, D. P. & Overgaard, J. (2023). Influence of pressure on a dysprosocenium single-molecule magnet. Chemical Communications, 59(18), 2656-2659. https://doi.org/10.1039/D2CC06722F

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Department of Chemistry