lowest unoccupied molecular orbital


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lowest unoccupied molecular orbital

[¦lō·əst ən¦äk·yə‚pīd mə¦lek·yə·lər ′ȯr·bəd·əl]
(physical chemistry)
The lowest-energy molecular orbital that is occupied by electrons. Abbreviated LUMO.
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References in periodicals archive ?
Where HOMO is the energy of the highest occupied molecular orbital and LUMO is the energy of the lowest unoccupied molecular orbital.
A Theoretical Approach to Relate the Reactivity Descriptors and Mulliken Charges with Carcinogenity of Some Methylated Benzo[a]Anthracene
A]), dipole moment (D), ovality, LogP, total energy, and the differences in the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) (Table 1).
Native Kenyan plants as possible alternatives to methyl bromide in soil fumigation
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].
Identification of the possible defect states in poly(3-hexylthiophene) thin films
Therefore, a control mechanism for the energies of the highest occupied and lowest unoccupied molecular orbitals ([E.
Copolymers with similar comonomers: tuning frontier orbital energies for application in organic solar cells
The electronic and charge transfer properties have been explained on the basis of highest occupied molecular orbitals (HOMOs), lowest unoccupied molecular orbitals (LUMOs) and density of states (DOS).
Synthesis, Characterization and DFT Study of Pyrazole-Carboxamides Compounds

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