Department of Chemistry

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Department of Chemistry at Aarhus University

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Publications from the Department of Chemistry

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Jakobsen, S. & Jensen, F. (2016). Searching the Force Field Electrostatic Multipole Parameter Space. Journal of Chemical Theory and Computation, 12(4), 1824-1832. https://doi.org/10.1021/acs.jctc.5b01187
Nguyen, Q. T., Glasius, M., Sørensen, L. L., Jensen, B., Skov, H., Birmili, W., Wiedensohler, A., Kristensson, A., Nøjgaard, J. K. & Massling, A. (2016). Seasonal variation of atmospheric particle number concentrations, new particle formation and atmospheric oxidation capacity at the high Arctic site Villum Research Station, Station Nord. Atmospheric Chemistry and Physics, 16(17), 11319-11336. https://doi.org/10.5194/acp-16-11319-2016
Ma, D., Li Manni, G., Olsen, J. & Gagliardi, L. (2016). Second-order perturbation theory for generalized active space self-consistent-field wave functions. Journal of Chemical Theory and Computation, 12(7), 3208-3213. https://doi.org/10.1021/acs.jctc.6b00382
Nuermaimaiti, A., Schultz-Falk, V., Lind Cramer , J., Svane, K. L., Hammer, B., Gothelf, K. V. & Linderoth, T. R. (2016). Selection of conformational states in surface self-assembly for a molecule with eight possible pairs of surface enantiomers. Chemical Communications, 52(97), 14023-14026. https://doi.org/10.1039/C6CC06876F
Wittenborn, T. R., Nielsen, T., Thomsen, J. S., Horsman, M. R. & Nygaard, J. V. (2016). Simulation of heterogeneous molecular delivery in tumours using μCT reconstructions and MRI validation. Microvascular Research, 108, 69-74. https://doi.org/10.1016/j.mvr.2016.08.004

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Revised 08.05.2026
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Department of Chemistry