The three-member ring structure transition region and structure transition state were found out.
得到了各反应通道的结构过渡区和结构过渡态。
The result shows that the transition state of the rearrangement reaction has a three-membered ring structure.
结果表明，该重排反应经过一个三元环过渡态。
The result shows that the transition state of the rearrangement reaction is a three-member ring structure external the molecular plane.
结果发现，该重排反应经过一个面外三元环过渡态。
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。
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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