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. 2021 Dec 3;6(49):33914–33922. doi: 10.1021/acsomega.1c04984

Table 2. GRPs of Compounds (1–6)a.

compounds I E X η μ ω σ
1 5.762 1.6 3.681 2.081 –3.681 3.255589 0.240269
2 5.748 1.569 3.6585 2.0895 –3.6585 3.202829 0.239292
3 5.837 1.651 3.744 2.093 –3.744 3.348671 0.238892
4 5.784 1.633 3.7085 2.0755 –3.7085 3.313171 0.240906
5 5.743 1.597 3.67 2.073 –3.67 3.248649 0.241196
6 5.719 1.586 3.6525 2.0665 –3.6525 3.227863 0.241955
a

Ionization potential (I), electron affinity (E), electronegativity (X), global hardness (η), chemical potential (μ), global electrophilicity (ω), and global softness (σ).