用过渡态理论计算了部分光学跃迁和电荷转移跃迁的能量。
Energies of some optical transitions and the charge transfer transition are calculated based on the transition state theory.
计算了NO分子各个轨道上的占有数，发现其电荷转移情况与CO在过渡金属表面吸附的情况相似。
It is evident from our results that the charge transfer between adsorbed NO and substrate is similar to CO adsorption on transition metal.
过渡金属电荷转移配合物的电荷分离是光能转化为电能的光物理过程，与配合物的电子结构密切相关。
The process of charge separation of transition metal charge-transfer complexes involves the conversion of photo-energy into electrical energy, closely related to their electronic structures.
应用推荐