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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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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