在随机描述的层次上,成功地构筑了非平衡定态化学反应体系对细致平衡偏离的不可逆性之随机热力学判据。
Criterion to identify the non-equilibrium chemical reaction systems at steady states departed from the detailed balance was constructed successfully at the stochastic level.
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.
结果表明,由于成核添加剂与PET之间在熔融态下存在化学反应,导致PET有不同程度的分子量下降,同时PET结晶速率发生变化。
It is found that there are chemical reactions between nucleating additives and PET in the melt state, resulting in the change of molecular weight and crystallization rate of PET in some degree.
So if we want to put that in chemical terms, we want to make sure we put these in brackets here, and remember, this is the resonance arrow, it's not a reaction arrow, it's a resonance arrow, so make sure you mark it up correctly like that.
那么如果我们把它类比到化学中来,我们要确保它们都放在括号里,而且要记住,这是一个表示共振态的箭头,而不是表示化学反应的,它是一个表示共振态的箭头,因此请务必像这样正确地标记它。
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