最高占据分子轨道

随着电场的增加，最高占据分子轨道和最低未占据分子轨道轨道之间的能隙变窄。

It is found that the energy gap between HOMO ( Highest Occupied Molecular Orbital ) and LUMO ( Lowest Unoccupied Molecular Orbital ) becomes narrower with the increase of the electric filed .

提出若干支化多烯烃同系列的∈HOMO（最高占据分子轨道的能量）计算公式。

Several computed formulas for the ∈ HOMO of the branching polyene homologous series are given .

化合物最低未占据分子轨道能和最高占据分子轨道能之间的能级差，可用于初步判断蒽醌类化合物对大型溞的潜在光致毒性。

The gap between the energy of the highest occupied molecular orbital and the lowest unoccupied molecular orbital can be used as an indicator of the potential photoinduced toxicity of anthraquinones to Daphnia magna .

覆盖有IndiumTinOxide（ITO）膜的透明导电玻璃广泛地用作有机发光器件（OLEDs）的空穴注入电极，但是ITO膜的功函数通常与空穴传输材料的最高被占据分子轨道（HOMO）不匹配。

Indium-tin-oxide ( ITO ) coated glass has been widely used as a hole injection electrode for organic light-emitting devices ( OLEDs ), but the work function of ITO film usually mismatches the highest occupied molecular orbital ( HOMO ) of the hole transport materials .