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Samples in periodicals archive:
Both the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) are the main orbital take part in chemical stability.
The calculated energy gap between the highest occupied molecular orbital and the lowest unoccupied molecular orbital states for the 102-atom compound was significant--0.
A low density of defect states within the highest occupied molecular orbital to lowest unoccupied molecular orbital (HOMO-LUMO) gap of poly(3-hexylthiophene) (P3HT) has been observed [2, 3].