...形成；热化学计算 [gap=870]keywords: ksolid oxide fuel cells;sealing glass;chromate formation;thermochemical calculation ...
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热化学计算不考虑反应的速度（动力学）。
Thermochemical calculations do not take into account the speed of the reactions (kinetics).
本课程使用高斯的目的，是除了热化学计算，更好了解化学反应和过渡态理论。
The objective of using Gaussian in this course is to understand better chemical reactions and transition state theory, in addition to the computations of thermochemistry.
有没有通用的动力学、热化学理论可用，可完全替代传统的纯理论计算模型实验的实验室工作。
There is no universal kinetic or thermochemical theory available, which could entirely substitute traditional experimental laboratory work with pure theoretical calculation models.
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