B3LYP/6-31G(d) electronic chemical potential μ, chemical hardness η, electrophilicity ω, nucleophilicity N, in eV, of R-carvone 8 and peracetic acid 9.
μ | η | ω | N | |
---|---|---|---|---|
R-Carvone 8 | −3.85 | 5.18 | 1.43 | 2.68 |
Peracetic acid 9 | −4.00 | 7.39 | 1.08 | 1.42 |
μ | η | ω | N | |
---|---|---|---|---|
R-Carvone 8 | −3.85 | 5.18 | 1.43 | 2.68 |
Peracetic acid 9 | −4.00 | 7.39 | 1.08 | 1.42 |