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. 2025 Jan 1;81(Pt 1):63–68. doi: 10.1107/S2056989024011939

Table 3. Global reactivity indices.

E SOMO (eV) −6.64
E LUMO (eV) −2.39
ΔE 4.25
I 6.64
A 2.39
χ 4.515
η 2.125
μ −4.515
S 0.235
ω 0.235