Table 6. Calculated GRPs for the PBMP, BCC, and DBC Compounds (eV).

IP	EA	gap	X	η	μ	σ	ω
PBMP
6.39	3.03	3.36	4.71	1.68	–4.71	0.298	6.602
BCC
6.49	2.78	3.71	4.635	1.855	–4.635	0.270	5.791
DBC
6.47	2.69	3.78	4.58	1.89	–4.58	0.265	5.549