This paper suggests frontier orbital energies as criterion of the dynamic stability.
本文建议用前线分子轨道能量作为分子动力学稳定性判据。
Based on the frontier orbital characters and charge distributions the electronic structures of these compounds are discussed.
从前线轨道特征、电荷分布等与自由卟啉对比讨论了杂原子取代卟啉的电子结构。
Between electron density distribution of molecular frontier orbital energy 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。
Between electron density distribution of molecular frontier orbital energy 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。
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