Table 2.
The calculated global reactivity indices and energetic parameters for compound 10.
| IP | EA | μ (eV) | χ (eV) | η (eV) | σ (eV) | ω (eV) | Dm (Debye) | TE (eV) | ∆Nmax | ∆E (eV) |
|---|---|---|---|---|---|---|---|---|---|---|
| −6.458 | −1.465 | −3.961 | 3.961 | 2.497 | 0.400 | 19.592 | 7.500 | −31539.8 | 1.587 | −19.592 |
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