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Publikationer fra Institut for Kemi

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Empereur-mot, C., Pedersen, K. B., Capelli, R., Crippa, M., Caruso, C., Perrone, M., Souza, P. C. T., Marrink, S. J. & Pavan, G. M. (2023). Automatic Optimization of Lipid Models in the Martini Force Field Using SwarmCG. Journal of Chemical Information and Modeling, 63(12), 3827–3838. https://doi.org/10.1021/acs.jcim.3c00530
Jensen, F. (2023). Basis Set Extrapolation of Vibrational Frequencies. The Journal of Physical Chemistry A, 127(12), 2859–2863. https://doi.org/10.1021/acs.jpca.3c00064
Sandemann, J. R., Støckler, K. A. H., Wang, X., Chakoumakos, B. C. & Iversen, B. B. (2023). Benchmark Crystal Structure of Defect-Free Spinel ZnFe2O4. Journal of the American Chemical Society, 145(38), 21053-21065. https://doi.org/10.1021/jacs.3c07334