The peaks of the absorption spectra corresponding to electronic transition have been studied.
分析了各个吸收光谱的峰值所对应的可能的电子跃迁。
On this basis, the mechanics of electronic transition in these molecules has been discussed through molecular orbital analysis.
在此基础上通过轨道分析,探索了分子内部电子跃迁的机理。
Density functional theory calculations were carried out to examine the structure and normal mode frequencies of the ground state of the complex and its electronic transition energies.
用密度泛函方法计算了复合物的基态结构、振动频率和电子跃迁能。
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