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Department of Chemistry at Aarhus University

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Publications from the Department of Chemistry

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Sedghamiz, E. & Ghalami, F. (2018). Evaluating the Effects of Geometry and Charge Flux in Force Field Modeling. The Journal of Physical Chemistry A, 122(19), 4647-4653. https://doi.org/10.1021/acs.jpca.7b12198

Birgisson, S., Christiansen, T. L. & Iversen, B. B. (2018). Exploration of Phase Compositions, Crystal Structures, and Electrochemical Properties of Na_xFe_yMn_1-yO₂ Sodium Ion Battery Materials. Chemistry of Materials, 30(19), 6636-6645. https://doi.org/10.1021/acs.chemmater.8b01566

Du, J. J., Hanrahan, J. R., Solomon, V. R., Williams, P. A., Groundwater, P. W., Overgaard, J., Platts, J. A. & Hibbs, D. E. (2018). Exploring the Binding of Barbital to a Synthetic Macrocyclic Receptor; a Charge Density Study. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 122(11), 3031-3044. https://doi.org/10.1021/acs.jpca.7b11674

Madsen, N. K., Hansen, M. B., Zoccante, A., Monrad, K., Hansen, M. B. & Christiansen, O. (2018). Exponential parameterization of wave functions for quantum dynamics: Time-dependent Hartree in second quantization. Journal of Chemical Physics, 149(13), Article 134110. https://doi.org/10.1063/1.5049344

Kristensen, S. K., Laursen, S. L. R., Taarning, E. & Skrydstrup, T. (2018). Ex Situ Formation of Methanethiol: Application in the Gold(I)-Promoted Anti-Markovnikov Hydrothiolation of Olefins. Angewandte Chemie - International Edition, 57(42), 13887-13891. https://doi.org/10.1002/anie.201809051

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Revised 01.06.2026

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Department of Chemistry