A1	1,7-diphenyl-3,5-di(2-thiophenyl)-aza-BODIPY
A2	1,3,5,7-tetra(2-thiophenyl)-aza-BODIPY
A3	1,7-di(2-furanyl-3,5-di(2-thiophenyl)-aza-BODIPY
A4	1,7-di(3-pyridinyl)-3,5-di(2-thiophenyl)-aza-BODIPY
A5	1,7-di(4-pyridinyl)-3,5-di(2-thiophenyl)-aza-BODIPY
A6	1,7-di(2-pyridinyl)-3,5-di(2-thiophenyl)-aza-BODIPY
A7	3,5-di(2-thiophenyl)-aza-BODIPY
B1	1,7-diphenyl-3,5-diethyl-aza-BODIPY
B2	1,7-di(2-thiophenyl)-3,5-diethyl-aza-BODIPY
B3	1,7-di(2-furanyl)-3,5-diethyl-aza-BODIPY
B4	1,7-di(3-pyridinyl)-3,5-diethyl-aza-BODIPY
B5	1,7-di(4-pyridinyl)-3,5-diethyl-aza-BODIPY
B6	1,7-di(2-pyridinyl)-3,5-diethyl-aza-BODIPY
B7	3,5-diethyl-aza-BODIPY
BCP	Bond critical point
BODIPY	4,4′-difluoro-4-bora-3a,4a-diaza-s-indacene
C1	1,3,5,7-tetraphenyl-aza-BODIPY
C2	1,7-di(2-thiophenyl)-3,5-diphenyl-aza-BODIPY
C3	1,7-di(2-furanyl)-3,5-diphenyl-aza-BODIPY
C4	1,7-di(3-pyridinyl)-3,5-diphenyl-aza-BODIPY
C5	1,7-di(4-pyridinyl)-3,5-diphenyl-aza-BODIPY
C6	1,7-di(2-pyridinyl)-3,5-diphenyl-aza-BODIPY
C7	3,5-diphenyl-aza-BODIPY
CAM-B3LYP	The CAM-B3LYP functional (Coulomb-attenuating method, Becke, 3-parameter, Lee–Yang–Parr)
CPCM	Conductor-like polarizable continuum model
D1	1,7-diphenyl-aza-BODIPY
D2	1,7-di(2-thiophenyl)-aza-BODIPY
D3	1,7-di(2-furanyl)-aza-BODIPY
D4	1,7-di(3-pyridinyl)-aza-BODIPY
D5	1,7-di(4-pyridinyl)-aza-BODIPY
D6	1,7-di(2-pyridinyl)-aza-BODIPY
D7	Aza-BODIPY
DFT	Density functional theory
DSSC	Dye-sensitized solar cell
HWHM	Half width at half maximum
HOMO	Highest occupied molecular orbital
LUMO	Lowest unoccupied molecular orbital
MO	Molecular orbital
NIR	Near-infrared
PBE	The PBE functional (Perdew–Burke-Ernzerhof)
PES	Potential energy surface
TDDFT	Time-dependent density-functional theory
QC	Quantum chemical calculations
QTAIM	Quantum theory of atoms in molecules
RMSD	Root mean square deviation
XRD	X-ray diffraction