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Furthermore, the relative energies and other properties of these substances have been studied with the bond angle ranging from 90° to 180° at fixed bond length at the same level. From the results obtained, the occurrence possibili...

进而研究了当键角在90°-180°之间变化时，这些相关物质能量的变化规律，由此探讨了不同硝化机理发生的可能性，为以后进一步研究不同结构与活性的芳香化合物的硝化反应机理提供依据。

The bond and angle terms are usually modeled as harmonic oscillators in force fields that do not allow bond breaking.

在力场中为了不让键断裂，键项和键角项一般被模型化为 harmonic oscillators 。

The statistic results of ring,density,bond length,bond angle,dihedral angle and X-ray radial distribution functionof the models are given.

给出了模型的环、密度、键长、键角、二面角及X射线径向分布函数的统计结果。

The results show that the electron correlation is a kind of tangential attraction because it reduces the bond angle to larger than 20°, but dont change bond length essentially.

结果显示，电子相关作用不改变键长，却减小键角大于20°，说明电子相关作用是作用在重金属原子上的一种切向吸引力。

The relaxation results showed that La filling had significant effects on the geometrical structure of CoSb3. In addition to that, La filling made the bond length, bond angle and charge density change.

CoSb_3为窄能隙半导体，在其能带结构的Γ点附近靠近费米面的能带呈直线的形状，且与k矢量成线性的关系。

Then the experiment of the thickness and deviation dependent shows the continue networks model is more seemlier, in which the amorphous lattice is the same of a single crystal, but its bond distance and bond angle have a little change.

而我们的池厚与分散度关系的实验已说明了厚池中键长键角不归一，当小球标准差为8.4％时，键长键角的变化可以用连续网络的非晶模型来描述，此模型的非晶结构的骨架与单晶相同，但键长键角有小量的无规性。

Geometric parameters such as bond length, bond angle and molecular volume were carefully investigated, as most of the acyclic alkanes under study are not yet synthesized.

研究还测定了它们的几何参数，如键长，键角，分子体积等，它们中的绝大多数分子目前还没有被合成。

Therefore, the structure could be stable. However, the structure was changed to amorphous when the strain level was over 15%. At the same time, the binding energy increased rapidly and the structure stability was reduced. During the deformation process, both the bond angle and bond length were significantly affected by the strain level.

这表明Ni纳米线的径向很软，结构之间几乎没有能量转换，且其稳定性基本不变；当压缩程度大于15%时，Ni纳米线结构变为无定形结构，它的结合能变大，且变化很快，表明其稳定性降低；压缩程度对Ni纳米线键角和键长的分布有着很大的影响。

Effects of helix structure disorder about the hydrogen bond length and helix angle on charge transport of Poly-Polyhave been studied. The results indicate that the hydrogen bond length disorder has a significant effect on charge transport,while the case is contrary in the situation of helix angle disorder.

在双螺旋结构无序中研究了氢键键长无序和螺旋角无序对Poly-Poly电荷输运的影响，结果表明：氢键键长无序对其电荷输运有重要的影响，而螺旋角无序对其电荷输运影响不大。

According to the situation of China, while enduing with the power of issuing the bond, the local government can issue the bond after being authorized by the central government.

从我国国情出发，在赋予地方发行政府债券的权力时，必须规定由中央政府核准后方可发债。

According to our present broadcasting situation,the thesis proposes using new technology to update and reform the present HFC. It also suggests broadcasting using self-advantage and arranging EPON in order to win the supermarket.

论文从我国广电的现状出发，结合实际，积极倡导采用新技术更新、改造我国现有的HFC网络；倡导广电现阶段利用自身优势，部署EPON网络来赢取市场。

A new general kinetic equation was derived in which the effect of the removal of condensation water was taken into account completely, and was applied to the polyesterification kinetic study of AA/HPHP and AA/NPG. It was found that the reaction order of self-catalyzed polyesterification was not constant. For these polyesterifications, the reaction order was 2.5 at a low temperature, while 3.0 at a high temperature.

考虑缩合水的排除对反应体系的影响，用体积浓度单位推导出一个新的聚酯反应总包动力学方程，并应用到AA/HPHP和AA/NPG两个聚酯化反应的动力学研究中，研究发现，自催化聚酯反应的反应级数并不是固定值，对于AA/HPHP和AA/NPG两个聚酯化反应而言，低温时反应级数为2.5，高温时反应级数为3.0。