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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Lund, H., Svith, H., Pedersen, S. U. & Daasbjerg, K. (2005). Versatile electrochemically based preparation of unusual Grignard reagents containing electrophilic substituents. Electrochimica Acta, 51(4), 655-664.

Underwood, J. G., Procino, I., Christiansen, L., Maurer, J. & Stapelfeldt, H. (2015). Velocity map imaging with non-uniform detection: Quantitative molecular axis alignment measurements via Coulomb explosion imaging. Review of Scientific Instruments, 86(7), Article 073101. https://doi.org/10.1063/1.4922137

Wittig, N. K., Christensen, T. E. K., Grünewald, T. A. & Birkedal, H. (2020). Vase-like β-Polymorph Guanine Crystal Aggregates Formed at the Air-Water Interface. ACS Materials Letters, 2(5), 446-452. https://doi.org/10.1021/acsmaterialslett.9b00447

Sharifi, S., Kudla, P., Oliveira, C. L. P., Pedersen, J. S. & Bergenholtz, J. (2012). Variations in Structure Explain the Viscometric Behavior of AOT Microemulsions at Low Water/AOT Molar Ratios. Zeitschrift für Physikalische Chemie: International journal of research in physical chemistry and chemical physics, 226(3), 201-218. https://doi.org/10.1524/zpch.2012.0173

Jákli, I., Jensen, S. K., Csizmadia, I. G. & Perczel, A. (2012). Variation of conformational properties at a glance. True graphical visualization of the Ramachandran surface topology as a periodic potential energy surface. Chemical Physics Letters, 547, 82-88. https://doi.org/10.1016/j.cplett.2012.08.002

Coriani, S., Thorvaldsen, A. J., Kristensen, K. & Jørgensen, P. (2011). Variational Response-function Formulation of Vibrational Circular Dichroism. Physical Chemistry Chemical Physics, 13, 4224-4229. https://doi.org/10.1039/C0CP02230F

Luis, J. M., Torrent-Sucarrat, M., Christiansen, O. & Kirtman, B. (2007). Variational calculation of static and dynamic vibrational nonlinear optical properties. Journal of Chemical Physics, 127, 084118.

Hathwar, V. R., Stingaciu, M., Richter, B., Overgaard, J. & Iversen, B. B. (2017). Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes. Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 73(Pt 2), 304-312. https://doi.org/10.1107/S2052520616019235

Lytje, K. & Pedersen, J. S. (2024). Validation of electron-microscopy maps using solution small-angle X-ray scattering. Acta crystallographica Section D: Structural biology, 80(Pt 7), 493-505. https://doi.org/10.1107/S2059798324005497

Ballav, N., Weidner, T. & Zharnikov, M. (2007). UV-Promoted exchange reaction as a tool for gradual tuning the composition of binary self-assembled monolayers and chemical lithography. Journal of Physical Chemistry C, 111(32), 12002-12010. https://doi.org/10.1021/jp0726788

Madsen, D., Larsen, J., Jensen, S. K., Thøgersen, J. & Keiding, S. R. (2003). UV Photolysis of the aqueous nitrate ion. Journal of the American Chemical Society, 125, 15571-15576.

Nielsen, D. B., Wahlqvist, B., Nielsen, D. U., Daasbjerg, K. & Skrydstrup, T. (2017). Utilizing Glycerol as an Ex Situ CO-source in Pd-Catalyzed Alkoxycarbonylation of Styrenes. ACS Catalysis, 7(9), 6089–6093. https://doi.org/10.1021/acscatal.7b02179

Jensen, F. (2017). Using valence bond methods to estimate intramolecular basis set superposition errors. Journal of Chemical Physics, 146(18), Article 184109. https://doi.org/10.1063/1.4983229

Torbensen, K., Malmos, K., Kanoufi, F., Combellas, C., Pedersen, S. U. & Daasbjerg, K. (2012). Using Time-Resolved Electrochemical Patterning to Gain Fundamental Insight into Aryl-Radical Surface Modification. ChemPhysChem, 13(14), 3303-3307. https://doi.org/10.1002/cphc.201200413

Britz, D., Raj Andersen, N. P. & Holst-Hansen, P. (1996). Using the electrochemical quartz crystal microbalance as stripping detector. Analytica Chimica Acta, 329, 253-256.

Pedersen, J. N., Frislev, H. K. S., Pedersen, J. S. & Otzen, D. E. (2016). Using protein-fatty acid complexes to improve vitamin D stability. Journal of Dairy Science, 99(10), 7755–7767. https://doi.org/10.3168/jds.2016-11343

Christensen, L., Nielsen, J. H., Slater, C. S., Lauer, A., Brouard, M. & Stapelfeldt, H. (2015). Using laser-induced Coulomb explosion of aligned chiral molecules to determine their absolute configuration. Physical Review A, 92, Article 033411. https://doi.org/10.1103/PhysRevA.92.033411

Jensen, F. (2003). Using force fields methods for locating transition structures. Journal of Chemical Physics, 119(17), 8804-8808. https://doi.org/10.1063/1.1613931

Sparta, M., Hansen, M. B., Gras, E. M., Toffoli, D. & Christiansen, O. (2010). Using Electronic Energy Derivative Information in Automated Potential Energy Surface Construction for Vibrational Calculations. Journal of Chemical Theory and Computation, 6, 3162-3175.

Madsen, R. B., Jensen, M. M., Mørup, A., Houlberg, K., Sigaard Christensen, P., Klemmer, M., Becker, J., Iversen, B. B. & Glasius, M. (2016). Using design of experiments to optimize derivatization with methyl chloroformate for quantitative analysis of the aqueous phase from hydrothermal liquefaction of biomass. Analytical and Bioanalytical Chemistry, 408(8), 2171-2183. https://doi.org/10.1007/s00216-016-9321-6

Jensen, F. (2022). Using atomic charges to model molecular polarization. Physical Chemistry Chemical Physics, 24(4), 1926-1943. https://doi.org/10.1039/d1cp03542h

Ceccato, M., Bousquet, A., Hinge, M., Pedersen, S. U. & Daasbjerg, K. (2011). Using a Mediating Effect in the Electroreduction of Aryldiazonium Salts To Prepare Conducting Organic Films of High Thickness. Chemistry of Materials, 23, 1551-1557.

Malmos, K., Dong, M., Pillai, S., Kingshott, P., Besenbacher, F., Pedersen, S. U. & Daasbjerg, K. (2009). Using a hydrazone-protected benzenediazonium salt to introduce a near-monolayer of benzaldehyde on glassy carbon surfaces. Journal of the American Chemical Society, 131(13), 4928-36. https://doi.org/10.1021/ja809816x

Britz, D. H. & Strutwolf, J. (2018). Use of the Saul'yev method for the digital simulation of chronoamperometry at the disk electrode, in the presence of homogeneous chemical reactions. Electrochimica Acta, 283(9), 300-305. https://doi.org/10.1016/j.electacta.2018.06.146

Britz, D. H., Strutwolf, J. & Østerby, O. (2017). Use of the Saul’yev method for the digital simulation of chronoamperometry and linear sweep voltammetry at the ultramicrodisk electrode. Electrochimica Acta, 258, 17-23. https://doi.org/10.1016/j.electacta.2017.10.089

Orts, W. J., Roa-Espinosa, A., Sojka, R. E., Glenn, G. M., Imam, S. H., Erlacher, K. & Pedersen, J. S. (2007). Use of Synthetic Polymers and Biopolymers for Soil Stabilization in Agricultural, Construction, and Military Applications. J. Mater. in Civil Engineering, 19(1), 58-66.

Strutwolf, J. & Britz, D. (2001). Use of high-order spatial discretisations in electrochemical digital simulations. 2. Combination with the extrapolation algorithm. Computers & Chemistry, 25, 511.

Britz, D., Satyaprakash, B. R., Antonia, R. A. & Hussain, A. K. M. F. (1982). Use of breakdown coefficients in turbulent jets to determine the universal exponent μ. Boundary-Layer Meteorology, 24, 77-87.

Britz, D. & Bauer, H. H. (1970). Use of a commercial lock-in amplifier in phase-selective second-harmonic ac polarography. Chemical Instrumentation, 2, 361-362.

Bregnhøj, M., Dichmann, L., McLoughlin, C. K., Westberg, M. & Ogilby, P. R. (2019). Uric Acid: A Less-than-Perfect Probe for Singlet Oxygen. Photochemistry and Photobiology, 95(1), 202-210. https://doi.org/10.1111/php.12971

Amdisen, M. B. & Jensen, T. R. (2025). Urea Calcium Borohydrides as Ca²⁺ Solid-State Electrolytes. Chemistry of Materials, 37(3), 1183-1194. https://doi.org/10.1021/acs.chemmater.4c03098

Shrivastava, M., Andreae, M. O., Artaxo, P., Barbosa, H. M. J., Berg, L. K., Brito, J., Ching, J., Easter, R. C., Fan, J., Fast, J. D., Feng, Z., Fuentes, J. D., Glasius, M., Goldstein, A. H., Alves, E. G., Gomes, H., Gu, D., Guenther, A., Jathar, S. H. ... Zhao, C. (2019). Urban pollution greatly enhances formation of natural aerosols over the Amazon rainforest. Nature Communications, 10(1), Article 1046. https://doi.org/10.1038/s41467-019-08909-4

Wang, K., Huang, R. J., Brüggemann, M., Zhang, Y., Yang, L., Ni, H., Guo, J., Wang, M., Han, J., Bilde, M., Glasius, M. & Hoffmann, T. (2021). Urban organic aerosol composition in eastern China differs from north to south: Molecular insight from a liquid chromatography-mass spectrometry (Orbitrap) study. Atmospheric Chemistry and Physics, 21(11), 9089-9104. https://doi.org/10.5194/acp-21-9089-2021

Knattrup, Y. & Elm, J. (2025). Uptake of organic vapours and nitric acid on atmospheric freshly nucleated particles. Aerosol Research, 3(1), 125-137. https://doi.org/10.5194/ar-3-125-2025

Ahrens, A., Batista, G. M. F., Hammershøj, H. C. D., Schwibinger, E. V., Nova, A. & Skrydstrup, T. (2024). Unveiling the mechanism of triphos-Ru catalysed C–O bond disconnections in polymers. Nature Communications, 15, Article 5656. https://doi.org/10.1038/s41467-024-50083-9

Borup, A. B., Bertelsen, A. D., Kløve, M., Christensen, R. S., Broge, N. L. N., Dippel, A.-C., Jørgensen, M. R. V. & Iversen, B. B. (2023). Unveiling the formation mechanism of Pb_xPd_y intermetallic phases in solvothermal synthesis using in situ X-ray total scattering. Nanoscale, 15(45), 18481-18488 . https://doi.org/10.1039/d3nr03901c

Moesgaard, J., Fujita, T. & Wei, S. (2025). Unveiling the boson peaks in amorphous phase-change materials. Journal of Physics: Condensed Matter, 37(2), Article 025101. https://doi.org/10.1088/1361-648X/ad80ef

Espinoza Ramos, I., Guo, Z., Clulow, R., Su, B., Zhao, Q., Holm Gjørup, F., Ahlberg Tidblad, A. & Zhang, L. (2025). Unveiling chemomechanical degradation in aqueous batteries with online acoustic emission sensing. Materials Today Energy, 51, Article 101899. https://doi.org/10.1016/j.mtener.2025.101899

Giavani, T., Johannsen, K., Jacobsen, C. J. H., Blom, N., Bildsøe, H., Skibsted, J. & Jakobsen, H. J. (2003). Unusual observation of nitrogen chemical shift anisotropies in tetraalkylammonium halides by 14N MAS NMR spectroscopy. Solid. State. Nucl. Mag., 24, 218-235. http://www.sciencedirect.com/science?_ob=MImg&_imagekey=B6THK-48PVK5B-1-1B&_cdi=5285&_orig=browse&_coverDate=12%2F31%2F2003&_sk=999759995&view=c&wc hp=dGLbVzz-zSkzS&_acct=C000034578&_version=1&_userid=642076&md5=3a535fe0a7f6b6ebbcc87a84a3d2c675&ie=f.pdf

Skibsted, J., Sevelsted, T. F., Poulsen, S. L. & Tran, T. T. (2013). Untersuchung von Gast-Ionen-Aufnahme in Portlandzement - Teil 2. ZKG International, 66(6), 46-52.

Skibsted, J., Sevelsted, T. F., Poulsen, S. L. & Tran, T. T. (2013). Untersuchung von Gast-Ionen-Aufnahme in Portlandzement - Teil 1. ZKG International, 66(4), 66-73.

Guo, J., Xu, Y., Exner, M., Huang, X., Li, Y., Liu, Y., Wang, H., Kowal, J., Zhang, Q., Kristensen, P. K., Wang, D., Pedersen, K., Gurevich, L., Stroe, D. I. & Adelhelm, P. (2024). Unravelling the Mechanism of Pulse Current Charging for Enhancing the Stability of Commercial LiNi_0.5Mn_0.3Co_0.2O₂/Graphite Lithium-Ion Batteries. Advanced Energy Materials, 14(22), Article 2400190. https://doi.org/10.1002/aenm.202400190

Christensen, R. S., Kløve, M., Roelsgaard, M., Sommer, S. & Iversen, B. B. (2021). Unravelling the complex formation mechanism of HfO₂ nanocrystals using in situ pair distribution function analysis. Nanoscale, 13(29), 12711-12719. https://doi.org/10.1039/D1NR03044B

Guo, J., Jin, S., Sui, X., Huang, X., Xu, Y., Li, Y., Kristensen, P. K., Wang, D., Pedersen, K., Gurevich, L. & Stroe, D. I. (2022). Unravelling and quantifying the aging processes of commercial Li(Ni_0.5Co_0.2Mn_0.3)O₂/graphite lithium-ion batteries under constant current cycling. Journal of Materials Chemistry A, 11(1), 41-52. https://doi.org/10.1039/d2ta05960f

Datzer, C., Zumbuelte, A., Braun, J., Foerster, T., Schmidt, A. B., Mi, J., Iversen, B. B., Hofmann, P., Minar, J., Ebert, H., Krueger, P., Rohlfing, M. & Donath, M. (2017). Unraveling the spin structure of unoccupied states in Bi2Se3. Physical Review B, 95(11), Article 115401. https://doi.org/10.1103/PhysRevB.95.115401

Rinza, T. R., Sneskov, K., Christiansen, O., Ryde, U. & Kongsted, J. (2011). Unraveling the similarity of the photoabsorption of deprotonated p-coumaric acid in the gas phase and within the photoactive yellow protein. Physical Chemistry Chemical Physics, 13, 1585-1589. https://doi.org/10.1039/C0CP01075H

Subrahmaniam, H. J., Salomonsen, C. L., Radutoiu, S., Ehlers, B. & Glasius, M. (2023). Unraveling the secrets of plant roots: Simplified method for large scale root exudate sampling and analysis in Arabidopsis thaliana [version 3; peer review: 2 approved, 1 approved with reservations]. Open Research Europe, 3(12), Article 12. https://doi.org/10.12688/openreseurope.15377.2

Brix, M. V. B., Kløve, M., Stubkjær, R. B., Kato, K. & Iversen, B. B. (2025). Unraveling the Crystal Structures of Ag ₂Ch (Ch = S, Se, Te) via Simultaneous X-Ray Diffraction and Total Scattering. Journal of the American Chemical Society, 147(29), 25858-25870. https://doi.org/10.1021/jacs.5c07875

Granados-Miralles, C., Saura-Múzquiz, M., Bøjesen, E. D., Jensen, K. M. Ø., Andersen, H. L. & Christensen, M. (2016). Unraveling structural and magnetic information during growth of nanocrystalline SrFe₁₂O₁₉. Journal of Materials Chemistry C, 4(46), 10903-10913. https://doi.org/10.1039/c6tc03803d

Abi, A. & Ferapontova, E. (2012). Unmediated by DNA electron transfer in redox-labeled DNA duplexes end-tethered to gold electrodes. Journal of American Chemical Society, 134(35), 14499-14507. https://doi.org/10.1021/ja304864w

Displaying results 101 to 150 out of 5240

Revised 24.09.2025

Department of Chemistry