Institut for Kemi

Aarhus Universitets segl

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Publikationer fra Institut for Kemi

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Kubečka, J., Knattrup, Y., Trolle, G. B., Reischl, B., Lykke-Møller, A. S., Elm, J. & Neefjes, I. (2025). Thermodynamics of Molecular Binding and Clustering in the Atmosphere Revealed through Conventional and ML-Enhanced Umbrella Sampling. ACS Omega, 10(34), 39148-39161. https://doi.org/10.1021/acsomega.5c05634
Juul-Madsen, L., Cordua, N., Greve, R. D., Pedersen, K., Trinderup, H. H., Petersen, E. & Jensen, H. H. (2025). The Stereochemical Outcome of Galactosylations Is Influenced by Both the Position and Electron-Withdrawing Power of Distal Acyl Protecting Groups. The Journal of Organic Chemistry, 90(20), 6662-6671. https://doi.org/10.1021/acs.joc.4c02956
Kvaal, S., Fredheim, H. R., Højlund, M. G. & Pedersen, T. B. (2025). Time-dependent Bivariational Principle: Theoretical Foundation for Real-Time Propagation Methods of Coupled-Cluster Type. Journal of Physical Chemistry A, 129(15), 3508-3521. https://doi.org/10.1021/acs.jpca.4c07417
Højlund, M. G., Zoccante, A., Jensen, A. B. & Christiansen, O. (2025). Time-Dependent Vibrational Coupled Cluster Theory With Static and Dynamic Basis Functions. Wiley Interdisciplinary Reviews: Computational Molecular Science, 15(1), Artikel e70001. https://doi.org/10.1002/wcms.70001
Christensen, J. K., Albrechtsen, S. H., Petersen, C. E., Schouder, C. A., Sánchez-Pérez, I., Carchi-Villalta, P. J., Bartolomei, M., Pirani, F., González-Lezana, T. & Stapelfeldt, H. (2025). Time-resolved solvation dynamics of Li+, Na+ and K+ ions in liquid helium nanodroplets. Physical Chemistry Chemical Physics, 27(45), 24184-24194. https://doi.org/10.1039/d5cp03894d

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Revideret 01.06.2026
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Institut for Kemi