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Energy distribution function and chemical reaction rate coefficient s were calculated through Boltzmann equation analysis and collision theory.

应用碰撞理论和波尔兹曼方程分析，对能量分布函数及反应速率常数进行数值模拟，得到离解反应速率常数与温度的曲线，分析预报各反应过程及表现。

Up-to-date, all ET models are based on Boltzmann statistics. To extend ET model to Fermi statistics, several Fermi integrals of different orders have to be frequently calculated.

目前的ET模型都是基于Boltzmann统计的，为了把ET模型推广到Fermi统计，要求频繁地计算几个不同阶的Fermi积分，其中有半整数阶，也有一般的实数阶。

After chewing, the HA homogeneity within the gum bolus was calculated and defined as mixing efficiency.

依咀嚼后口香糖中HA颗粒分布的均匀度作为混合效率的参考依据。

The quantity and affecting pattern of electron correlation effect in this kind of clusters are calculated by fitting bond angle related potential function

采用一个较简单的经典模型拟合了电子相关势能函数，并估算了它的大小和作用模式

Then some of the intermediates were optimized and calculated by computer simulation on 3D structures , mechanism, bond length and energy.

另外运用了先进的计算机模拟的方法，对合成的部分化合物进行了真空和溶剂状态下3D结构优化，化学键长、键能的计算。

The energy of explosion reactions is calculated by bond energy method.

摘 要：用实验分析验证了丁二烯系统自动爆炸的原因，即氧气进入系统形成了丁二烯聚过氧化物。

The density function theory B3LYP method with LANL2DZ basic sets is adopted to opt all possible geometrical structures of Tin (n=2~7) and to get the most stable structure. Then, the binding energy and Natural bond orbital of Ti clusters are calculated and discussed.

利用密度泛函理论中的B3LYP方法，选择LANL2DZ基组优化Tin(2~7)团簇得到各团簇的稳定结构，然后对稳定结构的束缚能及自然轨道进行分析。

The values of the binding energy, Fermi energy, bond order, bonding directionality and density of states are calculated and analyzed.

我们应用以前建立的理论，模型，计算并分析了Co〓Ti晶界原子簇的结合能，费米能级，键级，成键方向性，态密度等物理量。

Turn, calculated the hydrogen bond length in β-turn, and then modelled β-hairpin by the length of short peptide and hydrogen bond pattern was found.

在对β发夹模型化的分析中，同时考虑了连接短肽的长度和氢键模式两个因素。

At present, there are many different calculated formulas in accordance with different bonded materials.

由于粘贴材料性能的不同，加固设计的计算方法也不一。

The split between the two groups can hardly be papered over.

这两个团体间的分歧难以掩饰。

This approach not only encourages a greater number of responses, but minimizes the likelihood of stale groupthink.

这种做法不仅鼓励了更多的反应，而且减少跟风的可能性。