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Updated: May 21, 2026

Novel Techniques for Observing Structural Dynamics of Photoresponsive Liquid Crystals
Published on: May 29, 2018
Comment on "Density functional theory study of 1,2-dioxetanone decomposition in condensed phase"
Daniel Roca-Sanjuán1, Marcus Lundberg, David A Mazziotti
1Department of Chemistry-Ångström, The Theoretical Chemistry Programme, Uppsala University, POX 'a18, SE-751 20 Uppsala, Sweden.
Abstract:
In the preceding paper results are presented, which are in serious conflict with state-of-the-art ab initio method. Based on these new results the authors propose a new explanation of the reason for the preferential production of a phosphorescent state. Here we show that these controversial results are flawed, since the model use exclude biradical electron structures.
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