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Replication data for: Internal conversion in functionalized poly-chlorinated trityl radicals can be tuned by a characteristic high-frequency mode
Oct 1, 2026 - Koehn Group
Toews, Robert; Koehn, Andreas, 2026, "Replication data for: Internal conversion in functionalized poly-chlorinated trityl radicals can be tuned by a characteristic high-frequency mode", https://doi.org/10.18419/DARUS-6477, DaRUS, V1
This dataset contains all relevant computational output for parametrizing the internal conversion rate constants of the doublet emitters and triplet diradicals. Computational output is relevant either to the relaxed or vertical gradient model (see the corresponding article) and is provided in form of two ZIP archives: (i) relaxed-gradient_model.zip...
Koehn Group(Universität Stuttgart)
Sep 25, 2026
Research data associated with publications of the Theoretical Chemistry group lead by A. Köhn
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