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. 2021 Oct 21;6(43):28967–28982. doi: 10.1021/acsomega.1c04037

Table 2. Global Reactivity Descriptors.

media HOMO/eV LUMO/eV μ η ω σ
gas 7.1913 4.8909 6.0411 1.1502 15.8646 0.4347
solvent 6.9382 1.9531 4.4457 2.4926 3.9647 0.2006