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. 2022 Jan 5;12(2):1011–1020. doi: 10.1039/d1ra08133k

Adiabatic ionization potential (IPa in eV), electron affinities (EAa in eV), absolute hardness (η in eV) and solvation free energy in gas and chlorobenzene (ΔG in kcal mol−1) of the molecules H101, CP1 and CP2.

IPa EAa η ΔG
H101 5.22 0.17 2.52 −14.54
CP1 5.60 0.34 2.63 −11.72
CP2 5.61 0.28 2.67 −12.95