Exploring the Mechanisms behind Non-aromatic Fluorescence with the Density Functional Tight Binding Method
investigate the mechanism behind NAF in the crystal structure of l-pyroglutamine-ammonium, comparing it with the related nonfluorescent amino acid l-glutamine. Our results extend our previous findings to more [...] D. Mirón, C. R. Lien-Medrano, D. Banerjee, U. N. Morzan, M. A. Sentef, R. Gebauer, and A. Hassanali J. Chem. Theory Comput. XXXX , XXXX (2024) Recent experimental findings reveal nonconventional fluorescence