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. 2022 Oct 20;7(43):39294–39309. doi: 10.1021/acsomega.2c05441

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© 2022 The Authors. Published by American Chemical Society

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Plots of the selected FMOs (HOMO and LUMO) of the PBMP (a), BCC (b), and DBC (c) compounds calculated at the B3LYP/6-311+G(d,p) level with the implicit effects from ethanol (isosurface value = 0.01).