Table 2.

DFT calculation results of CBDs for quantum chemical parameters.

Quantum chemical parameters (eV unit)	Δ9-THCA	Δ9-THC	CBN	CBD	CBDA
HOMO	−6.07	−5.74	−5.81	−5.91	−6.16
LUMO	−0.78	−0.10	−0.95	−0.11	−0.91
Energy gap (ΔE)	5.29	5.63	4.85	5.80	5.25
Chemical potential (μ)	−3.42	−2.92	−3.38	−3.01	−3.53
Global hardness (η)	2.64	2.82	2.42	2.90	2.62
Ionization potential (I)	6.07	5.74	5.81	5.91	6.16
Electrophilicity (ω)	2.21	1.51	2.37	1.56	2.37