SEARCH Articles Figures Tables Highest occupied molecular orbital interaction with lowest unoccupied Highest occupied molecular orbital-lowest Highest occupied molecular orbital/lowest LUMO) overlap Highest occupied-lowest unoccupied molecular orbital analysis Lowest Occupied Molecular Lowest Occupied Molecular Orbital LUMO) Lowest occupied molecular orbital Lowest occupied molecular orbital Lowest occupied molecular orbital LOMO) Molecular orbital occupied Occupied molecular orbitals Occupied orbital Occupied orbitals