Exploring the Mechanisms behind Non-aromatic Fluorescence with the Density Functional Tight Binding Method
G. D. Mirón, C. R. Lien-Medrano, D. Banerjee, U. N. Morzan, M. A. Sentef, R. Gebauer, and A. Hassanali J. Chem. Theory Comput. 20 , 3864 (2024) Recent experimental findings reveal nonconventional fluorescence [...] inherent low computational cost, this method allows for a better sampling of the nonradiative events at the conical intersection which is crucial for a complete understanding of this phenomenon. Beyond co