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Department of Chemistry at Aarhus University

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Publications from the Department of Chemistry

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Saeed, K. H., Strunge, K., Mertig, R., Roeters, S. J. & Weidner, T. (2025). ViSCa: A computational toolbox for vibrational spectral calculations-Application to sum frequency generation spectroscopy of proteins. The Journal of Chemical Physics, 163(14), Article 144706. https://doi.org/10.1063/5.0296008

Green, A. E., Chen, K., Bhattacharyya, S., Allum, F., Usenko, S., Ashfold, M. N. R., Baumann, T. M., Borne, K. D., Brouard, M., Burt, M., Curchod, B. F. E., Erk, B., Forbes, R. J. G., Ibele, L. M., Ingle, R. A., Van Sa Lam, H., Li, X., Lin, K., Mazza, T. ... Rolles, D. (2025). Visualizing the Three-Dimensional Arrangement of Hydrogen Atoms in Organic Molecules by Coulomb Explosion Imaging. Journal of the American Chemical Society, 147(41), 37133-37143. https://doi.org/10.1021/jacs.5c08730

Vosegaard, E. S., Svane, J. & Brummerstedt Iversen, B. (2025). X-ray electron density analysis of chemical bonding in permanent magnet Nd₂Fe₁₄B. IUCrJ, 12(6), 658-669. https://doi.org/10.1107/S2052252525007602

Vestergaard, A. K., Gammelgaard, J. J., Sun, Z., Zhao, S., Li, Z., Lock, N., Daasbjerg, K. & Lauritsen, J. V. (2025). X-ray spectroscopy characterization of cobalt stabilization within a monolayer carbon nitride in the oxygen evolution reaction. Physical Chemistry Chemical Physics, 27(10), 5326-5337. Advance online publication. https://doi.org/10.1039/d4cp04148h

Hall, C. A., Grinter, D. C., Sandemann, J., Iversen, B. B., Bennett, R. A., Held, G., Grau-Crespo, R. & Ferrer, P. (2025). Zinc depletion at the ZnFe₂O₄ (1 1 1) single crystal surface: X-ray spectroscopy experiments and computer simulations. Applied Surface Science, 713, Article 164253. https://doi.org/10.1016/j.apsusc.2025.164253

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Revised 01.06.2026

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Department of Chemistry