Electronic Transition Energies 电子跃迁能
E2 transition energies E2跃迁能量
e transition energies e2跃迁能量
vertical transition energies 激发能
e 2 transition energies e跃迁能量
Our calculated optical transition energies are in good agreement with experimental data.
理论计算的光跃迁能和实验结果一致。
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。
The transition energies and charge densities of dye molecules are calculated by modify PPP-CI method. The results show that the photofading rates are closely related to the charge densities ons…
用改进的PPP-CI方法计算染料分子的跃迁能和电荷密度，结果表明，茚苯胺染料的光退色速率与染料分子中某些原子上的电荷密度有关，单重态氧可能在光退色过程中起着重要作用。
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