Each state represents a different combination of rotational, vibrational, or orbitalenergy for the molecule.
每个态均表示分子的旋转，振动或轨道能量的不同组合。
2
Between electron density distribution of molecular frontier orbitalenergy and the substitute position, there were some dependencies.
发现前线轨道能量与分子的电子密度分布及取代位置均有一定依赖关系。
3
On the basis of the principle, the OET (orbital-energy topological index) was proposed by revising the valence electron distance matrix with the orbitalenergy.