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Figure 7
The frontier mol­ecular orbitals HOMO and LUMO energy levels, with the energy gap ΔE = 4.0931 eV.

Journal logoCRYSTALLOGRAPHIC
COMMUNICATIONS
ISSN: 2056-9890
Volume 80| Part 12| December 2024| Pages 1274-1279
https://doi.org/10.1107/S2056989024010594
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