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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 Department of Chemistry

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Kong, J., Li, L., Liu, J., Marlton, F. P., Jørgensen, M. R. V. & Pramanick, A. (2022). A Local Atomic Mechanism for Monoclinic-Tetragonal Phase Boundary Creation in Li-Doped Na_0.5K_0.5NbO₃Ferroelectric Solid Solution. Inorganic Chemistry, 61(10), 4335-4349. https://doi.org/10.1021/acs.inorgchem.1c03501

Barzgar, S., Yan, Y., Tarik, M., Skibsted, J., Ludwig, C. & Lothenbach, B. (2022). A long-term study on structural changes in calcium aluminate silicate hydrates. Materials and Structures/Materiaux et Constructions, 55(10), Article 243. https://doi.org/10.1617/s11527-022-02080-x

Zhou, Q., Thøgersen, M. K., Rezayee, N. M., Jørgensen, K. A. & Houk, K. N. (2022). Ambimodal Bispericyclic [6 + 4]/[4 + 6] Transition State Competes with Diradical Pathways in the Cycloheptatriene Dimerization: Dynamics and Experimental Characterization of Thermal Dimers. Journal of the American Chemical Society, 144(48), 22251-22261. https://doi.org/10.1021/jacs.2c10407

Liu, Y., Xie, H.-B., Ma, F., Chen, J. & Elm, J. (2022). Amine-Enhanced Methanesulfonic Acid-Driven Nucleation: Predictive Model and Cluster Formation Mechanism. Environmental Science & Technology, 56(12), 7751-7760. https://doi.org/10.1021/acs.est.2c01639

Pedersen, J. S., Møller, T. L., Raak, N. & Corredig, M. (2022). A model on an absolute scale for the small-angle X-ray scattering from bovine casein micelles. Soft Matter, 47, 8613-8625. https://doi.org/10.1039/D2SM00724J

Chacón-Parra, A., Lewis, D., Glasius, M. & van Eyk, P. (2022). A multi-component reaction kinetics model for the hydrothermal liquefaction of carbohydrates and co-liquefaction to produce 5-ethoxymethyl furfural. Fuel, 311, Article 122499. https://doi.org/10.1016/j.fuel.2021.122499

Dal Sasso, G., Dalconi, M. C., Ferrari, G., Pedersen, J. S., Tamburini, S., Bertolotti, F., Guagliardi, A., Bruno, M., Valentini, L. & Artioli, G. (2022). An Atomistic Model Describing the Structure and Morphology of Cu-Doped C-S-H Hardening Accelerator Nanoparticles. Nanomaterials, 12(3), Article 342. https://doi.org/10.3390/nano12030342

Sørensen, D. R., Drejer, A. Ø., Heere, M., Senyshyn, A., Frontzek, M., Hansen, T., Didier, C., Peterson, V. K., Bomholdt Ravnsbæk, D. & Jørgensen, M. R. V. (2022). An Easy-to-Use Custom-Built Cell for Neutron Powder Diffraction Studies of Rechargeable Batteries. Chemistry-Methods, 2(10), Article e202200046. https://doi.org/10.1002/cmtd.202200046

Grønbech, T. B. E., Tolborg, K., Ceresoli, D. & Iversen, B. B. (2022). Anharmonic motion and aspherical nuclear probability density functions in cesium halides. Physical Review B, 105(10), Article 104113. https://doi.org/10.1103/PhysRevB.105.104113

Wei, S. (2022). Anomalous liquids on a new landscape: From water to phase-change materials. Journal of Non-Crystalline Solids: X, 14, Article 100094. https://doi.org/10.1016/j.nocx.2022.100094

Trinderup, H. H., Sandgaard, T. L. P., Juul-Madsen, L. & Jensen, H. H. (2022). Anomeric Thioglycosides Give Different Anomeric Product Distributions under NIS/TfOH Activation. Journal of Organic Chemistry, 87(6), 4154-4167. https://doi.org/10.1021/acs.joc.1c03001

Nielsen, C. L., Martinez Turtos, R., Bondesgaard, M., Nyemann, J. S., Jensen, M. L., Iversen, B. B., Muren, L., Julsgaard, B. & Balling, P. (2022). A novel nano-composite material for optically stimulated luminescence dosimetry. Nano Letters, 22(4), 1566-1572. https://doi.org/10.1021/acs.nanolett.1c04384

Kim, B. B., Wu, H., Hao, Y. A., Pan, M., Chavarha, M., Zhao, Y., Westberg, M., St-Pierre, F., Wu, J. C. & Lin, M. Z. (2022). A red fluorescent protein with improved monomericity enables ratiometric voltage imaging with ASAP3. Scientific Reports, 12(1), Article 3678. https://doi.org/10.1038/s41598-022-07313-1

Cherepanov, I. N., Bighin, G., Schouder, C. A., Chatterley, A. S., Stapelfeldt, H. & Lemeshko, M. (2022). A simple model for high rotational excitations of molecules in a superfluid. New Journal of Physics, 24(7), Article 075004. https://doi.org/10.1088/1367-2630/ac8113

Hasegawa, H., Walmsley, T., Matsuda, A., Morishita, T., Madsen, L. B., Jensen, F., Tolstikhin, O. I. & Hishikawa, A. (2022). Asymmetric Dissociative Tunneling Ionization of Tetrafluoromethane in ω − 2ω Intense Laser Fields. Frontiers in Chemistry, 10, Article 857863. https://doi.org/10.3389/fchem.2022.857863

Fu, Z., Xie, H. B., Elm, J., Liu, Y., Fu, Z. & Chen, J. (2022). Atmospheric Autoxidation of Organophosphate Esters. Environmental Science & Technology, 56(11), 6944–6955. https://doi.org/10.1021/acs.est.1c04817

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 (Cambridge, England), 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

Displaying results 451 to 500 out of 4972

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Department of Chemistry