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Since most of the large molecules containing phosphorus element have double bonds, it is necessary to consider the special structures of double bonds in order to deal with these large systems more accurately. So, based on density functional theory and electronegativity equalization principle, applying a general atom-bond electronegativity equalization method , using separated program, through regression and least-squares optimization , the parameters of atoms and bonds in molecules are determined . By these parameters , the charge distributions and the energy of some molecules containing phosphorus element, especial the fragment of DNA, RNA, are calculated . The results are quite good.

由于这些含磷生物大分子体系都含有双键,为了明确的处理双键,进而更准确的解释带有双键和共轭双键的含磷生物大分子结构与性质的关系,我们以密度泛函理论~([1-4])和电负性均衡原理~([5-9])为基础,应用和开发原子-键电负性均衡方法中的σπ模型,利用最小二乘法,拟合确定了一些分子(含碳、氮、氧、氢以及磷等原子)的各种类型原子及化学键区域的参数,并利用上述参数计算了一些多聚核苷酸的电荷分布以及分子的总能量,进行了讨论,得到的结果可以和从头算相媲美。

Then the fundamental equations for plate/shell bi-nonlinear finite element model were set up with layered finite method. the fundamental geometric nonlinearity equations for the unbonded prestressed tendon and double spring element were proposed, and the double spring element was used to simulate the interaction of unbonded prestressed tendon and deviator.

最后,针对配置体外CFRP预应力筋混凝土梁的受力特性,对各规范和规程中的裂缝计算公式进行了相应的修正,建立了适用于配置体外CFRP预应力筋混凝土箱梁和T梁短期和长期裂缝宽度的计算公式。

Experimental result makes clear, the main reason that structure of revulsive bursa bubble alters exterior activator is exterior activator embeds in the double element layer of bursa bubble, the inhomogenous sex that the exterior charge intensity that changed bursa bubble thereby and the exterior activator after embedding distributing in layer of bursa bubble double element.

实验结果表明,表面活性剂诱导囊泡结构改变的主要原因是表面活性剂嵌入到囊泡的双分子层中,从而改变了囊泡的表面电荷强度以及嵌入后的表面活性剂在囊泡双分子层中分布的不均匀性。

Child photo bang double exposure holographic interferometry Institute of Measurement and Testing Technology of Yunnan Province, Yan Tsui Kit -----, This paper describes the double - exposure holographic interferometry technique of the basic principles, rationale, the establishment of the basic object of determining the displacement quantitative relationship ...

虐摄嘭双曝光全息干涉计量技术研究云南省计量测试研究所宴咀洁—————,本文阐述了双曝光全息干涉计量技术的基本原理,理论基础,建立了确定物体基本位移的定量关系式。。。

Property 1 The double integral of the sum of two functions is equal to the sum of their double integrals, that is

性质 1 两个函数和的二重积分等于它们二重积分的和,即

Finally the double integral in geometry and physics applications, and use MATLAB to solve the double integral on the general area.

最后讨论了重积分在多少何和物理方面的应用,并利用MATLAB求解一般区域上的二重积分。

Minute of Double Integral formula for the Matlab procedures, without oscillation function for the Double Integral good results!

复化simpson公式求二重积分的matlab程序,对于无振荡函数的二重积分效果很好!

In this thesis, the virtual boundary integral equation is based on double layer potential with the virtual density to be determined on virtual boundary. Since this integral equation related to double layer potential only involves the computation of the normal derivative and second normal derivative of fundamental solution, the exponential integral function is not involved in it, so numerical computation for the exponential integral function is avoid.

本文则基于双层位势,引入虚拟矩密度函数来建立虚边界积分方程,并首先对时间变量进行解析积分,在虚、实边界上采用常单元和等额配点离散,该方程只涉及含基本解的法向导数及其二阶法向导数项的计算,对时间变量进行解析积分后,不会出现对指数积分函数的空间变量的积分计算。

This paper presents the concepts of double limit, repeated limit , directional limit and weak double limit of binary function, and discusses the relationships among them.

给出了二元函数的二重极限、累次极限、方向极限、弱二重极限的概念,讨论了这几种极限之间的关系。

This thesis probes into the double negative "bu M bu" construction in modern Chinese, characterizing the nature of this construction, comparing it with the positive counterparts to analyze the strength of its tone, and differentiating the semantic feature of the relevant expressions, so as to enhance the comprehension of the constructions of the modal double negation in modern Chinese.

我们考察了"不M不"格式的语言单位性质,对比分析了"不M不"格式与相对的肯定式在语义和语气表达上的差异,并对容易混淆的两对近义格式"不能不"和"必须"、"不得不"和"不能不"做了辨析,深化了对情态动词双重否定的认识。

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推荐网络例句

She gently rebuff ed him, but agreed that they could be friends

她婉言拒绝了,但同意作为朋友相处。

If in the penal farm, you were sure to be criticized.

要是在劳改农场,你等着挨绳子吧!

Several theories about reigniting and extinguishing of the arc have been refered.

本文综合考虑了几种电弧重燃和熄灭理论。