CPCM	conductor-like polarizable continuum model
DFT	density functional theory
GA	3,4,5-trihydroxybenzoic acid
HOMO	highest occupied molecular orbital
ILCT	intraligand charge transfer
LMCT	ligand-to-metal charge transition
LUMO	lowest unoccupied molecular orbital
MLCT	metal-to-ligand charge transfer
MOs	molecular orbitals
SOMO	a singly occupied molecular orbital
TDDFT	time-dependent density functional theory