The peaks of the absorption spectra corresponding to electronictransition 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。
2
On this basis, the mechanics of electronictransition 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。
3
Density functional theory calculations were carried out to examine the structure and normal mode frequencies of the ground state of the complex and its electronictransition energies.