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.
本文给出了电离空气环境中碳化材料热化学烧蚀参数的计算方法。
The method for computing the thermochemistry Ablation parameters of charred materials in ionized air environment is given in this paper.
综合热化学烧蚀计算与实验对比,得到粒子冲蚀的定性及定量结果。
Sum up the thermo-chtr cal erosion calculation and contrast with the test results, the qualitative and quantitative results of particle impingements were gained.
对炭基复合材料在不同环境下热化学烧蚀过程进行了数值模拟,对烧蚀产物进行了计算。
Numerical simulation of high temperature thermal chemical ablation for carbon composite material was done and the ablation results were calculated.
运用最小自由能原理,研究了超高温热化学烧蚀的计算方法。
The principle of minimum free energy method was analyzed. The calculation method of thermal chemical ablation was studed.
运用最小自由能原理,研究了超高温热化学烧蚀的计算方法。
The principle of minimum free energy method was analyzed. The calculation method of thermal chemical ablation was studed.
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