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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Zajac, M., Song, J., Skocek, J., Ben Haha, M. & Skibsted, J. (2023). Composite cements with aqueous and semi-dry carbonated recycled concrete pastes. Construction and Building Materials, 407, Article 133362. https://doi.org/10.1016/j.conbuildmat.2023.133362

Day, C. S. & Martin, R. (2023). Comproportionation and disproportionation in nickel and copper complexes. Chemical Society Reviews, 52(19), 6601-6616 . https://doi.org/10.1039/d2cs00494a

Kubečka, J., Besel, V., Neefjes, I., Knattrup, Y., Kurtén, T., Vehkamäki, H. & Elm, J. (2023). Computational Tools for Handling Molecular Clusters: Configurational Sampling, Storage, Analysis, and Machine Learning. ACS Omega, 8(47), 45115-45128. https://doi.org/10.1021/acsomega.3c07412

Mørch, M. I. & Christensen, M. (2023). Controlling the magnetic structure in W-type hexaferrites. Journal of Applied Crystallography, 56(Pt 3), 597-602. https://doi.org/10.1107/S1600576723002133

Magnard, N. P. L., Kirsch, A., Jørgensen, M. R. V., Kantor, I., Sørensen, D. R., Huotari, S., Rudić, S., Bordallo, H. N. & Jensen, K. M. Ø. (2023). Control of H-Related Defects in γ-MnO₂ in a Hydrothermal Synthesis. Inorganic Chemistry, 62(32), 13021-13029. https://doi.org/10.1021/acs.inorgchem.3c01815

Thomas, S. P., Worthy, A., Eikeland, E. Z., Thompson, A. J., Grosjean, A., Tolborg, K., Krause, L., Sugimoto, K., Spackman, M. A., McMurtrie, J. C., Clegg, J. K. & Iversen, B. B. (2023). Coordination Sphere Flexibility Leads to Elastic Deformation in a One-Dimensional Coordination Polymer Crystal. Chemistry of Materials, 35(6), 2495-2502. https://doi.org/10.1021/acs.chemmater.2c03625

Østergaard, M., Naver, E. B., Schüpbach, D., Kaestner, A., Strobl, M., Brüel, A., Thomsen, J. S., Schmidt, S., Poulsen, H. F., Kuhn, L. T. & Birkedal, H. (2023). Correlative study of liquid in human bone by 3D neutron microscopy and lab-based X-ray μCT. Bone, 175, Article 116837. https://doi.org/10.1016/j.bone.2023.116837

Corzo, H. H., Hillers-Bendtsen, A. E., Barnes, A., Zamani, A. Y., Pawłowski, F., Olsen, J., Jørgensen, P., Mikkelsen, K. V. & Bykov, D. (2023). Coupled cluster theory on modern heterogeneous supercomputers. Frontiers in chemistry, 11, Article 1154526. https://doi.org/10.3389/fchem.2023.1154526

Kubečka, J., Knattrup, Y., Engsvang, M., Jensen, A. B., Ayoubi, D., Wu, H., Christiansen, O. & Elm, J. (2023). Current and future machine learning approaches for modeling atmospheric cluster formation. Nature Computational Science, 3(6), 495-503. https://doi.org/10.1038/s43588-023-00435-0

Bhatia, H., Martin, C., Keshavarz, M., Dovgaliuk, I., Schrenker, N. J., Ottesen, M., Qiu, W., Fron, E., Bremholm, M., Van de Vondel, J., Bals, S., Roeffaers, M. B. J., Hofkens, J. & Debroye, E. (2023). Deciphering the Role of Water in Promoting the Optoelectronic Performance of Surface-Engineered Lead Halide Perovskite Nanocrystals. ACS Applied Materials & Interfaces, 15(5), 7294-7307. https://doi.org/10.1021/acsami.2c20605

Muzzi, B., Albino, M., Petrecca, M., Innocenti, C., de Julián Fernández, C., Bertoni, G., Ibarra, M. R., Christensen, M., Avdeev, M., Marquina, C. & Sangregorio, C. (2023). Defect-Engineering by Solvent Mediated Mild Oxidation as a Tool to Induce Exchange Bias in Metal Doped Ferrites. Small Methods, 7(11), Article 2300647. https://doi.org/10.1002/smtd.202300647

Peru, F., Payandeh, S., Jensen, T. R., Charalambopoulou, G. & Steriotis, T. (2023). Destabilization of the LiBH₄–NaBH₄ Eutectic Mixture through Pore Confinement for Hydrogen Storage. Inorganics, 11(3), Article 128. https://doi.org/10.3390/inorganics11030128

Castarède, D., Brasseur, Z., Wu, Y., Kanji, Z. A., Hartmann, M., Ahonen, L., Bilde, M., Kulmala, M., Petäjä, T., Pettersson, J. B. C., Sierau, B., Stetzer, O., Stratmann, F., Svenningsson, B., Swietlicki, E., Thu Nguyen, Q., Duplissy, J. & Thomson, E. S. (2023). Development and characterization of the Portable Ice Nucleation Chamber 2 (PINCii). Atmospheric Measurement Techniques, 16(16), 3881-3899. https://doi.org/10.5194/amt-16-3881-2023

Harms, M., Fabech Hansson, R., Gilg, A., Almeida-Hernández, Y., Löffler, J., Rodríguez-Alfonso, A., Habib, M. M. W., Albers, D., Ahmed, N. S., Abadi, A. H., Winter, G., Rasche, V., Beer, A. J., Weidinger, G., Preising, N., Ständker, L., Wiese, S., Sanchez-Garcia, E., Zelikin, A. N. & Münch, J. (2023). Development of N-Terminally Modified Variants of the CXCR4-Antagonistic Peptide EPI-X4 for Enhanced Plasma Stability. Journal of Medicinal Chemistry, 66(22), 15189-15204. https://doi.org/10.1021/acs.jmedchem.3c01128

Sela, T., Mansø, M., Siegel, M., Marban-Doran, C., Ducret, A., Niewöhner, J., Ravn, J., Martin, R. E., Sommer, A., Lohmann, S., Krippendorff, B. F., Ladefoged, M., Indlekofer, A., Quaiser, T., Bueddefeld, F., Koller, E., Mohamed, M. Y., Oelschlaegel, T., Gothelf, K. V. ... Schumacher, F. F. (2023). Diligent Design Enables Antibody-ASO Conjugates with Optimal Pharmacokinetic Properties. Bioconjugate Chemistry, 34(11), 2096-2111. https://doi.org/10.1021/acs.bioconjchem.3c00393

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 e2301160. 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

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

Díaz-Fernández, A., Ferapontov, A., Vendelbo, M. H. & Ferapontova, E. E. (2023). Electrochemical Cellulase-Linked ELASA for Rapid Liquid Biopsy Testing of Serum HER-2/neu. ACS Measurement Science Au, 3(3), 226-235. https://doi.org/10.1021/acsmeasuresciau.2c00067

Díaz-Fernández, A. & Ferapontova, E. E. (2023). Electrochemical ELASA: improving early cancer detection and monitoring. Analytical and Bioanalytical Chemistry, 415(18), 3831-3846. https://doi.org/10.1007/s00216-023-04546-5

Sinha, V., Rezai, F., Sahin, N. E., Catalano, J., Bøjesen, E. D., Sotoodeh, F. & Dražević, E. (2023). Electrochemical nitrogen reduction reaction over gallium - a computational and experimental study. Faraday Discussions, 243, 307-320 . https://doi.org/10.1039/d2fd00169a

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

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

Yin, M., Izadi, M., Tenglin, K., Viennet, T., Zhai, L., Zheng, G., Arthanari, H., Dassama, L. M. K. & Orkin, S. H. (2023). Evolution of nanobodies specific for BCL11A. Proceedings of the National Academy of Sciences of the United States of America, 120(3), Article e2218959120. https://doi.org/10.1073/pnas.2218959120

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

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

Dusolle, B., Jubera, V., Ilin, E. S., Martin, P., Philippot, G., Suchomel, M. R., Iversen, B. B., Marre, S. & Aymonier, C. (2023). Formation Mechanism and Excitonic Luminescence of Supercritical-Fluid-Synthesized ZnO Nanoparticles. Chemistry of Materials, 35(10), 4057-4067. https://doi.org/10.1021/acs.chemmater.3c00493

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

Displaying results 51 to 100 out of 188

Revised 15.09.2023

Marianne Sommer