Molecules | ε HOMO | ε LUMO | Gap | S (Softness) |
---|---|---|---|---|
D_Chair | −0.21374 | −0.04412 | 0.16962 | 11.79106 |
D1_Chair | −0.20857 | −0.05763 | 0.15094 | 13.26787 |
D2_Chair | −0.21086 | −0.06102 | 0.14984 | 13.34757 |
D3_Chair | −0.21101 | −0.06008 | 0.15093 | 13.25118 |
D4_Chair | −0.21245 | −0.06621 | 0.14624 | 13.67614 |
D5_Chair | −0.22074 | −0.04579 | 0.17495 | 11.43183 |