Find

For students
For PhDs
For employees

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 Department of Chemistry

Sort by: Date | Author | Title

Xue, J., Ma, F., Elm, J., Chen, J. & Xie, H.-B. (2022). Atmospheric oxidation mechanism and kinetics of indole initiated by •OH and •Cl: a computational study. Atmospheric Chemistry and Physics, 22(17), 11543-11555. https://doi.org/10.5194/acp-22-11543-2022

Htet, C. S., Nayak, S., Manjón-Sanz, A., Liu, J., Kong, J., Sørensen, D. R., Marlton, F. P., Jørgensen, M. R. V. & Pramanick, A. (2022). Atomic structural mechanism for ferroelectric-antiferroelectric transformation in perovskite NaNbO₃. Physical Review B, 105(17), Article 174113. https://doi.org/10.1103/PhysRevB.105.174113

Goesten, M. (2022). Be–Be π-Bonding and Predicted Superconductivity in MBe₂(M=Zr, Hf). Angewandte Chemie International Edition, 61(4), Article e202114303. https://doi.org/10.1002/anie.202114303

Kayrouz, C. M., Huang, J., Hauser, N. & Seyedsayamdost, M. R. (2022). Biosynthesis of selenium-containing small molecules in diverse microorganisms. Nature, 610(7930), 199-204. https://doi.org/10.1038/s41586-022-05174-2

Højlund, M. G., Jensen, A. B., Zoccante, A. & Christiansen, O. (2022). Bivariational time-dependent wave functions with biorthogonal adaptive basis sets: General formulation and regularization of equations of motion through polar decomposition. Journal of Chemical Physics, 157(23), Article 234104. https://doi.org/10.1063/5.0127431

Wittig, N. K. & Birkedal, H. (2022). Bone hierarchical structure: spatial variation across length scales. Acta crystallographica Section B, Structural science, crystal engineering and materials, B78(Part 3, Number 1), 305-311. https://doi.org/10.1107/S2052520622001524

Mathiesen, J. K., Bøjesen, E. D., Pedersen, J. K., Kjær, E. T. S., Juelsholt, M., Cooper, S., Quinson, J., Anker, A. S., Cutts, G., Keeble, D. S., Thomsen, M. S., Rossmeisl, J. & Jensen, K. M. Ø. (2022). Breaking with the Principles of Coreduction to Form Stoichiometric Intermetallic PdCu Nanoparticles. Small Methods, 6(6), Article 2200420. https://doi.org/10.1002/smtd.202200420

Chatterley, A. S., Laity, P., Holland, C., Weidner, T., Woutersen, S. & Giubertoni, G. (2022). Broadband Multidimensional Spectroscopy Identifies the Amide II Vibrations in Silkworm Films. Molecules, 27(19), Article 6275. https://doi.org/10.3390/molecules27196275

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

Corey, R. A., Harrison, N., Stansfeld, P. J., Sansom, M. S. P. & Duncan, A. L. (2022). Cardiolipin, and not monolysocardiolipin, preferentially binds to the interface of complexes III and IV. Chemical Science, 13(45), 13489-13498. https://doi.org/10.1039/d2sc04072g

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

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

Sosna, M. & Ferapontova, E. E. (2022). Electron Transfer in Binary Hemin-Modified Alkanethiol Self-Assembled Monolayers on Gold: Hemin's Lateral and Interfacial Interactions. Langmuir, 38(37), 11180-11190. https://doi.org/10.1021/acs.langmuir.2c01064

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

Displaying results 751 to 800 out of 5238

16

Revised 24.09.2025

-

Department of Chemistry