... intermediate temperature solid state synthesis 中温固相合成 abiding in the intermediate state 住在中有 transition-state intermediate 过渡态中间体 ...
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振动分析和IRC计算结果都证实了中间体和过渡态的真实性。
Intermediates and transition states are confirmed by the results of vibration analysis and IRC calculation.
本文以三个例子,分别介绍了用量子化学方法求得有机反应的中间体、过渡态和反应途径的方法。
Three examples are cited for illustration of theoretical methods used by the present authors for calculating the intermediate, transition state and reaction path of organic reaction.
SDD 水平上优化了反应物、过渡态、中间体和产物的几何构型。
The geometry optimizations of reactant, transition state, intermediate and product are made at MP_2/SDD level.
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