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Unfortunately, it has been shownthat these methods are not suitable to study about chemical bonds due to not involvingchemical bonds. In order to consider chemical bonds obviously, we have proposed an atom-bondelectronegativity equalization model on the basis of density-functionaltheory and electronegativity equalization principle. The main contents of our atom-bond electronegativity equalization model contain:(1)Considering the fact that there are varies of chemical bonds in molecules andpartitioning the molecular electron density as summations of atomic electron densitiesand chemical bond's electron densities, we obtained the basic equations of atom-bondelectronegativity equalization model: the expression of the total energy 〓, theexpression of the atom electronegativity 〓 and the expression of the bondelectronegativity 〓.

为了明确地考虑和处理分子中存在的化学键,以便能够更好地描述体系中的电荷分布进而准确地描述分子体系中的有关物理化学性质,尤其是与化学键有关的物理化学性质,我们在密度泛函理论和电负性均衡原理基础上提出了原子-键电负性均衡模型,原子-键电负性均衡模型的主要内容是:(1)考虑到分子体系中存在各种化学键这个事实,将分子空间看成是由原子区和化学键区组成的,将分子的单电子密度表达成为分子中各组成原子的单电子密度和各化学键的单电子密度的加和,从而得到了原子-键电负性均衡模型的基本方程:分子体系总能量〓和分子中原子电负性〓和化学键电负性〓表达式。

This paper gives an accurate inversion of matrix of coefficient which is derived fromsolving the boundary-value problem of biharmonic equation in rectangular region by meansof difference method.

将一个n阶电导矩阵实现为具有n+1节点的网络是一很重要的问题,并且引起了广泛的研究,本文扼要地介绍了有关电导矩阵的性质和一些己有的实现方法。

Based on OBDII standard,some key application technologies used for the system,such as network communication protocol,off-board communication standards,have been analyzed and the analysis of the development trend of the on-board diagnosis system is made.

车载自诊断方法是现代汽车电控系统故障诊断的一种重要方法,它能连续不断地检测有关系统的故障。

And by using the initial conditions as well as the end conditions, the dynamic problem is then transferred to a second kind Volterra integral equation about the function of the axial strain with respect to time which can also be solved successfully by the interpolation method. For piezoelectric and pyroelectric hollow cylinders, by following the solving procedure for elastic hollow cylinder and by using the electric boundary conditions, the dynamic problems are transferred to two Volterra integral equations about two functions of time, one is axial strain and the other is related to electric displacement, which can also be solved efficiently and quickly by employing interpolation method. The elastodynamic solutions of hollow spheres, which are made of elastic, piezoelectric and pyroelectric materials, respectively, for spherically symmetric problems are also obtained.

对于弹性空心圆柱,通过引入一特定函数将非齐次边界条件化为齐次边界条件,然后利用正交展开技术,导出关于时间函数的方程,再结合初始条件和端部边界条件,将原问题转化为关于一个时间函数的第二类Volterra积分方程,运用插值法可给出此积分方程的解;对于压电和热释电空心圆柱,利用求解弹性空心圆柱相似的方法,再结合电学边界条件,原问题转化为关于两个时间函数(轴向应变和与电位移有关的函数)的第二类Volterra积分方程组,同样可用插值法来构造相应的递推公式高效地求解此积分方程组。

Analytical results show that: Anode evaporation rate, which determines mostly the production rate of UFMP, is influenced by the many factors including electric parameters of arc, ambient conditions and material properties et al; Existence and increase of anode ejection can influence the production rate and property of UFMP; It is firstly found and investigated that surface connexity phenomenon of Al anode material. Analyses and calculation show that formation of anode spot and existence of self-magnetic field force play an important part in surface connexity process; Effects of cathode material on prepared UFMP is also experimentally studied and theoretically analysed. It shows that effect of the cathode is inconsiderable under the experimental conditions used in the study. At last, the experimental results found in part one are analysed and discussed in detail.

然后详细分析了电弧与电极间的相互作用过程,结果表明:决定超微粉产率的阳极材料蒸发率受许多因素影响,它主要与电弧电参量,环境条件及材料性质有关;阳极表面液滴喷溅的存在和加剧将严重地影响所制超微粉的产率和性质;首次发现和实验研究了Al阳极表面凸起现象,并对此现象进行了详细的理论分析和实际估算,认为阳极斑点的形成及自磁场作用力的存在在该过程中起着重用作用;实验研究和理论分析了阴极材料对所制超微粉的影响,认为在本文所用实验方法及条件下,阴极材料对粉的影响很小。

In addition, studying of some aspects on the theory of electroosmotic flow and column efficiencies was carried out.

结果表明对于中性化合物,影响其CEC色谱保留和TLC保留的结构参数相同,二者的分离机理基本一致。此外,还对有关电渗流和CEC柱效理论的一些方面展开了较为深入地研究。

推荐网络例句

According to the clear water experiment, aeration performance of the new equipment is good with high total oxygen transfer coefficient and oxygen utilization ratio.

曝气设备的动力效率在叶轮转速为120rpm~150rpm时取得最大值,此时氧利用率和充氧能力也具有较高值。

The environmental stability of that world - including its crushing pressures and icy darkness - means that some of its most famous inhabitants have survived for eons as evolutionary throwbacks, their bodies undergoing little change.

稳定的海底环境─包括能把人压扁的压力和冰冷的黑暗─意谓海底某些最知名的栖居生物已以演化返祖的样态活了万世,形体几无变化。

When I was in school, the rabbi explained everythingin the Bible two different ways.

当我上学的时候,老师解释《圣经》用两种不同的方法。