HOMO-LUMO gap

HOMO-LUMO gap: The energy difference between a molecule’s Highest energy Occupied Molecular Orbital (HOMO) and its Lowest energy Unoccupied Molecular Orbital (LUMO).
HOMO-LUMO gap_第1张图片

http://www.chem.ucla.edu/~harding/IGOC/H/homo_lumo_gap.html

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