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.
化学反应共振态研究是化学动力学研究的重要前沿课题，对于理解基元化学反应的机理有重要的意义。
Reaction resonance is a frontier topic in chemical dynamics research, and is also essential to the understanding of mechanisms of elementary chemical reactions.
作为化学反应动力学过程过渡状态的活化给合物，实际上处于非平衡定态。
The activated complex as a transition state in the chemical kinetic processes is actually at a nonequilibrium steady state.
此课程主要讨论宏观系统的平衡态性质、基础热力学、气相与溶液中的化学反应平衡和化学反应速率。
This subject deals primarily with equilibrium properties of macroscopic systems, basic thermodynamics, chemical equilibrium of reactions in gas and solution phase, and rates of chemical reactions.
处在单线激发态的DAMC与活泼烯烃会发生化学反应。
It has been found that there are chemical reaction between the excited DAMC and the active vinyl monomers.
对于空气氧化膜，电化学反应速度逐步变慢，直至达到相应于稳定钝态的恒定值，同时电位向正移动，表明膜中的微裂纹不断得到修补。
With air-formed films the faradaic processes decreased progressively to a constant rate consistent with the increase in potential, indicating the healing of surface flaws.
化学反应过渡态结构对化学反应机理的研究有重要作用，但实验上无法直接得到。
The transition state plays an important role in mechanism research of chemical reactions, but it is hard to determine experimentally.
测定了苯醌同还原态GOD的化学反应速度常数，并讨论用苯醌代替氧作为生物电催化中的电子传递体的优点。
The rate constant for the chem. reaction of benzoquinone with reduced GOD was measured, and the advantage of benzoquinone over oxygen as a mediator in bioelectrocatalysis was discussed.
测定了苯醌同还原态GOD的化学反应速度常数，并讨论用苯醌代替氧作为生物电催化中的电子传递体的优点。
The rate constant for the chem. reaction of benzoquinone with reduced GOD was measured, and the advantage of benzoquinone over oxygen as a mediator in bioelectrocatalysis was discussed.
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