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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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Christensen, O., Zhao, S., Sun, Z., Bagger, A., Lauritsen, J. V., Pedersen, S. U., Daasbjerg, K. & Rossmeisl, J. (2022). Can the CO₂Reduction Reaction Be Improved on Cu: Selectivity and Intrinsic Activity of Functionalized Cu Surfaces. ACS Catalysis, 12(24), 15737-15749. https://doi.org/10.1021/acscatal.2c04200

Köhn, A. & Olsen, J. (2022). Capabilities and limits of the unitary coupled-cluster approach with generalized two-body cluster operators. Journal of Chemical Physics, 157(12), Article 124110. https://doi.org/10.1063/5.0104815

Franco, F., Meninno, S., Overgaard, J., Rossi, S., Benaglia, M. & Lattanzi, A. (2022). Catalytic Enantioselective Entry to Triflones Featuring a Quaternary Stereocenter. Organic Letters, 24(24), 4371-4376. https://doi.org/10.1021/acs.orglett.2c01589

Zhao, S., Liang, H. Q., Hu, X. M., Li, S. & Daasbjerg, K. (2022). Challenges and Prospects in the Catalytic Conversion of Carbon Dioxide to Formaldehyde. Angewandte Chemie - International Edition, 61(46), Article e202204008. https://doi.org/10.1002/anie.202204008

Nie, S. & Skibsted, J. (2022). Characterization of Monochromate and Hemichromate AFm Phases and Chromate-Containing Ettringite by¹H,²⁷Al, and⁵³Cr MAS NMR Spectroscopy. Minerals, 12(3), Article 371. https://doi.org/10.3390/min12030371

Skibsted, J. (2022). Characterization of supplementary cementitious materials and their quantification in cement blends by solid-state NMR. In Industrial Waste: Characterization, Modification and Applications of Residues (pp. 3-32). De Gruyter. https://doi.org/10.1515/9783110674941-001

Jørgensen, L. R. & Iversen, B. B. (2022). Characterizing thermoelectric stability. Dalton Transactions, 51(10), 3807-3816. https://doi.org/10.1039/d1dt04001d

Glasius, M., Thomsen, D., Wang, K., Iversen, L. S., Duan, J. & Huang, R. J. (2022). Chemical characteristics and sources of organosulfates, organosulfonates, and carboxylic acids in aerosols in urban Xi'an, Northwest China. Science of the Total Environment, 810, Article 151187. https://doi.org/10.1016/j.scitotenv.2021.151187

Kjaersgaard, N. L., Nielsen, T. B. & Gothelf, K. V. (2022). Chemical Conjugation to Less Targeted Proteinogenic Amino Acids. ChemBioChem, 23(19), Article e202200245. https://doi.org/10.1002/cbic.202200245

Singh, G., Phalgune, U. D., Madhu, P. K., Nielsen, N. C. & Ganapathy, S. (2022). Chemical shielding and electric field gradient tensors of disodium 5′-adenosine triphosphate trihydrate determined by solid-state NMR spectroscopy and ab initio calculations. Journal of Magnetic Resonance, 10-11, Article 100051. https://doi.org/10.1016/j.jmro.2022.100051

Montasell, M. C., Monge, P., Carmali, S., Dias Loiola, L. M., Andersen, D. G., Løvschall, K. B., Søgaard, A. B., Kristensen, M. M., Pütz, J. M. & Zelikin, A. N. (2022). Chemical zymogens for the protein cysteinome. Nature Communications, 13(1), Article 4861. https://doi.org/10.1038/s41467-022-32609-1

Elm, J. (2022). Clusteromics III: Acid Synergy in Sulfuric Acid-Methanesulfonic Acid-Base Cluster Formation. ACS Omega, 7(17), 15206-15214. https://doi.org/10.1021/acsomega.2c01396

Knattrup, Y. & Elm, J. (2022). Clusteromics IV: The Role of Nitric Acid in Atmospheric Cluster Formation. ACS Omega, 7(35), 31551–31560. https://doi.org/10.1021/acsomega.2c04278

Høyer, N. M., Kjeldal, F. O., Hillers-Bendtsen, A. E., Mikkelsen, K. V., Olsen, J. & Jørgensen, P. (2022). Cluster perturbation theory. VI. Ground-state energy series using the Lagrangian. Journal of Chemical Physics, 157(2), Article 024106. https://doi.org/10.1063/5.0082583

Hillers-Bendtsen, A. E., Høyer, N. M., Kjeldal, F. Ø., Mikkelsen, K. V., Olsen, J. & Jørgensen, P. (2022). Cluster perturbation theory. VIII. First order properties for a coupled cluster state. Journal of Chemical Physics, 157(2), Article 024108. https://doi.org/10.1063/5.0082585

Olsen, J., Hillers-Bendtsen, A. E., Kjeldal, F. Ø., Høyer, N. M., Mikkelsen, K. V. & Jørgensen, P. (2022). Cluster perturbation theory. VII. The convergence of cluster perturbation expansions. Journal of Chemical Physics, 157(2), Article 024107. https://doi.org/10.1063/5.0082584

Shyam, P., Mørch, M., Eikeland, A. Z., Ahlburg, J., Mamakhel, A., Saura-Múzquiz, M. & Christensen, M. (2022). Combined characterization approaches to investigate magnetostructural effects in exchange-spring ferrite nanocomposite magnets. Materials Chemistry Frontiers, 6(17), 2422-2437. https://doi.org/10.1039/d2qm00091a

Birkedal, H. (2022). Comment on Quantitative Evaluation of Osteocyte Morphology and Bone Anisotropic Extracellular Matrix in Rat Femur. Calcified Tissue International, 110(1), 143-143. https://doi.org/10.1007/s00223-021-00902-8

Bertelsen, A. D., Hansen, A. R., Broge, N. L. N., Mamakhel, A., Bondesgaard, M. & Iversen, B. B. (2022). Composition space of PtIrPdRhRu high entropy alloy nanoparticles synthesized by solvothermal reactions. Chemical Communications, 58(91), 12672-12675. https://doi.org/10.1039/d2cc04827b

Jensen, F. (2022). Computational Chemistry: The Exciting Opportunities and the Boring Details. Israel Journal of Chemistry, 62(1-2), Article e202100027. https://doi.org/10.1002/ijch.202100027

Goesten, M., Xia, Y., Aschauer, U. & Amsler, M. (2022). Conformational Gap Control in CsTaS₃. Journal of the American Chemical Society, 144(8), 3398–3410. https://doi.org/10.1021/jacs.1c10947

Santorelli, A. & Gothelf, K. V. (2022). Conjugation of chemical handles and functional moieties to DNA during solid phase synthesis with sulfonyl azides. Nucleic Acids Research, 50(13), 7235-7246. https://doi.org/10.1093/nar/gkac566

Corti, V., Thøgersen, M. K., Enemærke, V. J., Rezayee, N. M., Barløse, C. L. & Anker Jørgensen, K. (2022). Construction of C-N Atropisomers by Aminocatalytic Enantioselective Addition of Indole-2-carboxaldehydes to o-Quinone Derivatives. Chemistry - A European Journal, 28(60), Article e202202395. https://doi.org/10.1002/chem.202202395

Rasmussen, F. R., Kubecka, J. & Elm, J. (2022). Contribution of Methanesulfonic Acid to the Formation of Molecular Clusters in the Marine Atmosphere. The Journal of Physical Chemistry A, 126(40), 7127–7136. https://doi.org/10.1021/acs.jpca.2c04468

Mishra, M. K., Smetana, V., Hiti, E. A., Wineinger, H. B., Qu, F., Mudring, A.-V. & Rogers, R. D. (2022). CO₂ capture from ambient air via crystallization with tetraalkylammonium hydroxides. Dalton Transactions , 51(46), 17724-17732. https://doi.org/10.1039/d2dt02262a

Kotur, B., Babizhetskyy, V., Smetana, V., Zheng, C. & Mudring, A. V. (2022). Crystal and electronic structures of a new hexagonal silicide Sc₃₈Co₁₄₄Si₉₇. Journal of Solid State Chemistry, 316, Article 123586. https://doi.org/10.1016/j.jssc.2022.123586

Nabahat, M., Amini, N., Pineda, E., Yang, F., Qiao, J., Ruta, B. & Crespo, D. (2022). Delayed elasticity of metallic glasses: Loading time and temperature dependences of the anelastic relaxation. Physical Review Materials, 6(12), Article 125601. https://doi.org/10.1103/PhysRevMaterials.6.125601

Wili, N., Nielsen, A. B., Völker, L. A., Schreder, L., Nielsen, N. C., Jeschke, G. & Tan, K. O. (2022). Designing broadband pulsed dynamic nuclear polarization sequences in static solids. Science Advances, 8(28), Article eabq0536. https://doi.org/10.1126/sciadv.abq0536

Guralnik, B., Hansen, O., Stilling-Andersen, A. R., Hansen, S. E., Borup, K., Mihiretie, B. M., Beltrán-Pitarch, B., Henrichsen, H. H., Lin, R., Shiv, L., Iversen, B. B., Nielsen, P. F. & Petersen, D. H. (2022). Determination of thermoelectric properties from micro four-point probe measurements. Measurement Science and Technology, 33(12), Article 125001. https://doi.org/10.1088/1361-6501/ac88ea

Harms, M., Hansson, R. F., Carmali, S., Almeida-Hernández, Y., Sanchez-Garcia, E., Münch, J. & Zelikin, A. N. (2022). Dimerization of the Peptide CXCR4-Antagonist on Macromolecular and Supramolecular Protraction Arms Affords Increased Potency and Enhanced Plasma Stability. Bioconjugate Chemistry, 33(4), 594-607. https://doi.org/10.1021/acs.bioconjchem.2c00034

Ding, Y., Pedersen, S. S., Lin, A., Qian, R. & Ball, Z. (2022). Direct formation and site-selective elaboration of methionine sulfoximine in polypeptides. Chemical Science, 13(47), 14101-14105. https://doi.org/10.1039/d2sc04220g

Skoryunov, R. V., Babanova, O. A., Soloninin, A. V., Grinderslev, J. B., Skripov, A. V. & Jensen, T. R. (2022). Dynamical properties of lithium borohydride – ammine composite LiBH₄·NH₃: A nuclear magnetic resonance study. Journal of Alloys and Compounds, 894, Article 162446. https://doi.org/10.1016/j.jallcom.2021.162446

Jensen, R. B., Pedersen, S. P. & Zinner, N. T. (2022). Dynamical quantum phase transitions in a noisy lattice gauge theory. Physical Review B, 105(22), Article 224309. https://doi.org/10.1103/PhysRevB.105.224309

Yan, Y., Yang, S. Y., Miron, G. D., Collings, I. E., L'Hôpital, E., Skibsted, J., Winnefeld, F., Scrivener, K. & Lothenbach, B. (2022). Effect of alkali hydroxide on calcium silicate hydrate (C-S-H). Cement and Concrete Research, 151, Article 106636. https://doi.org/10.1016/j.cemconres.2021.106636

Fehér, B., Varga, I. & Pedersen, J. S. (2022). Effect of concentration and ionic strength on the lower critical solution temperature of poly(N-isopropylacrylamide) investigated by small-angle X-ray scattering. Soft Materials, 20(S1), S10-S18. https://doi.org/10.1080/1539445X.2021.1979041

Htet, C. S., Manjón-Sanz, A. M., Liu, J., Kong, J., Marlton, F. P., Nayak, S., Jørgensen, M. R. V. & Pramanick, A. (2022). Effect of Local Structural Distortions on Antiferroelectric-Ferroelectric Phase Transition in Dilute Solid Solutions of K_xNa_1-xNbO₃. Inorganic Chemistry, 61(50), 20277-20287. https://doi.org/10.1021/acs.inorgchem.2c02489

Zajac, M., Skibsted, J., Lothenbach, B., Bullerjahn, F., Skocek, J. & Ben Haha, M. (2022). Effect of sulfate on CO₂ binding efficiency of recycled alkaline materials. Cement and Concrete Research, 157, Article 106804. https://doi.org/10.1016/j.cemconres.2022.106804

Joseph, S., Skibsted, J. & Cizer, Ö. (2022). Effect of Water–Solid Mixing Sequence and Crystallization Water of Calcium Sulphate on the Hydration of C₃ A. Materials, 15(6), Article 2297. https://doi.org/10.3390/ma15062297

Beyer, J., Roth, N. & Brummerstedt Iversen, B. (2022). Effects of Voigt diffraction peak profiles on the pair distribution function. Acta Crystallographica Section A: Foundations and Advances, A78(Part 1), 10-20. https://doi.org/10.1107/S2053273321011840

Hansen-Felby, M., Pedersen, S. U. & Daasbjerg, K. (2022). Electrocatalytic Depolymerization of Self-Immolative Poly(Dithiothreitol) Derivatives. Molecules, 27(19), Article 6292. https://doi.org/10.3390/molecules27196292

Sinha, V., Rezai, F., Sahin, N. E., Catalano, J., Bøjesen, E. D., Sotoodeh, F. & Dražević, E. (2022). Electrochemical nitrogen reduction reaction over gallium - a computational and experimental study. Faraday Discussions, 243, 307-320 . https://doi.org/10.1039/d2fd00169a

Madzharova, F., Bregnhøj, M., Chatterley, A. S., Løvschall, K. B., Drace, T., Andersen Dreyer, L. S., Boesen, T. & Weidner, T. (2022). Electrostatics Trigger Interfacial Self-Assembly of Bacterial Ice Nucleators. Biomacromolecules, 23(2), 505-512. https://doi.org/10.1021/acs.biomac.1c01217

Chacon-Parra, A. D., Hall, P. A., Lewis, D. M., Glasius, M. & van Eyk, P. J. (2022). Elucidating the Maillard Reaction Mechanism in the Hydrothermal Liquefaction of Binary Model Compound Mixtures and Spirulina. ACS Sustainable Chemistry & Engineering, 10(33), 10989-11003. https://doi.org/10.1021/acssuschemeng.2c03111

McLeod, D. A., Thøgersen, M. K., Barløse, C. L., Skipper, M. L., Obregón, E. B. & Jørgensen, K. A. (2022). Enantioselective (8+3) Cycloadditions by Activation of Donor–Acceptor Cyclopropanes Employing Chiral Brønsted Base Catalysis. Angewandte Chemie - International Edition, 61(29), Article e202206096. https://doi.org/10.1002/anie.202206096

Neumann, K. T. & Skrydstrup, T. (2022). Enriched amino acids. Nature Chemistry, 14(12), 1339-1340. https://doi.org/10.1038/s41557-022-01089-7

Stockler, K. A. H., Roth, N., Gronbech, T. B. E. & Iversen, B. B. (2022). Epitaxial intergrowths and local oxide relaxations in natural bixbyite Fe_2-xMn_xO₃. IUCrJ, 9(4), 523-532. https://doi.org/10.1107/S2052252522006315

Gausas, L., Donslund, B. S., Kristensen, S. K. & Skrydstrup, T. (2022). Evaluation of Manganese Catalysts for the Hydrogenative Deconstruction of Commercial and End-of-Life Polyurethane Samples. ChemSusChem, 15(1), Article e202101705. https://doi.org/10.1002/cssc.202101705

Rasmussen, M. H., Holler, K. R., Baio, J. E., Jaye, C., Fischer, D. A., Gorb, S. N. & Weidner, T. (2022). Evidence that gecko setae are coated with an ordered nanometre-thin lipid film. Biology Letters, 18(7), Article 20220093. https://doi.org/10.1098/rsbl.2022.0093

Jakobsen, C. L., Brighi, M., Andersen, B. P., Ducrest, G., Černý, R. & Ravnsbæk, D. B. (2022). Expanded solid-solution behavior and charge-discharge asymmetry in Na_xCrO₂ Na-ion battery electrodes. Journal of Power Sources, 535, Article 231317. https://doi.org/10.1016/j.jpowsour.2022.231317

Vijayan Pillai, H., Povlsen, A., Thomas-Hunt, J., Mørch, M. & Christensen, M. (2022). Exploiting different morphologies of non-ferromagnetic interacting precursor’s for preparation of hexaferrite magnets. Journal of Alloys and Compounds, 915, Article 165333. https://doi.org/10.1016/j.jallcom.2022.165333

Displaying results 801 to 850 out of 5898

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Department of Chemistry