. 2024 Feb 2;9(6):6403–6422. doi: 10.1021/acsomega.3c04970

Table 3. E_HOMO,E_LUMO, and energy gap (E_g) of RW and W1–W7.

molecules	E_HOMO (eV)	E_LUMO (eV)	E_g (eV)
RW	–5.86	–3.63	2.23
W1	–5.58	–3.63	1.95
W2	–5.70	–3.72	1.98
W3	–5.94	–3.76	2.18
W4	–5.75	–3.55	2.20
W5	–5.79	–3.58	2.21
W6	–5.66	–3.45	2.21
W7	–5.62	–3.40	2.22

Table 3. EHOMO,ELUMO, and energy gap (Eg) of RW and W1–W7.