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. 2021 Jul 5;20(7):927–938. doi: 10.1007/s43630-021-00071-5

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© The Author(s) 2021

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Fig. 6 — E_HOMO and E_LUMO can be approximated to electron affinities (EA) and ionisation potential (IP). The reduction and oxidation potentials can be obtained from the EA and IP