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。
The active atoms and bonds of reaction were provided by frontier molecular orbital theory.
用前线分子轨道理论分析了反应的活性原子和活性键。
The result is explained qualitatively with the theory of frontier molecular orbital.
根据前线分子轨道理论，对实验结果提出了定性的解释。
The result is explained qualitatively with the theory of frontier molecular orbital.
根据前线分子轨道理论，对实验结果提出了定性的解释。
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