Research Data for "Insights into rapid non-radiative decay encountered in intramolecular charge transfer compounds with benzodithiophene-4,8-dione acceptors" by S. Montanaro et al.

Content

Input/output files and geometries for computations performed. Folder names in bold.

AQ, 1-7: Molecule names as defined in the text

OPT: Geometry optimisation runs

VEX: Vertical excitation