通过振动分析确定所得过渡态具有唯一虚振动频率;
The transition states were characterized by vibration frequency analysis, with only one imaginary vibration model.
重点研究了过渡态的虚振动模式,它指向反应物和产物,说明这些驻点均位于正确的反应途径上。
The imaginary vibration model of transition state is studied chiefly, and points to reactant and product, and illuminates that stationary points locate the right reaction channel.
重点研究了过渡态的虚振动模式,它指向反应物和产物,说明这些驻点均位于正确的反应途径上。
The imaginary vibration model of transition state is studied chiefly, and points to reactant and product, and illuminates that stationary points locate the right reaction channel.
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