等原子的

Based on the theoretical calculation model for the structural information of metal melt, the main structural information, including relative concentration of active atoms, average diameter of the atomic clusters and the number of short-range atoms inside them, was achieved. Finally, by multiple non-linear fitting of experimental data, the function about viscosity and size of atomic clusters was established.

利用金属熔体结构信息的理论计算模型，得到该温度区间内铝熔体的主要结构信息，包括激活原子的相对浓度、原子集团的平均直径及其内部包含近程原子数等，最终通过实验数据的多次非线性拟合发现黏度与原子集团的尺寸之间存在函数关系。

The evaporation fields of metal atoms in the STM configuration have been calculated on the base of the binding energy of the atom on the tip, the total ionization energy of the atom, surface work function, the atomic radius and tip-sample distance.

本文的理论计算表明所需的外加电场强度决定于针尖原子的结合能，原子总的离化能，表面功函数，原子直径以及针尖和样品间距等。

In addition, some modifications on several computational methods are also presented. Using LMTO method the electronic structure of several systems are studied, and some results are obtained. They are: The ideal Nb (100) surface has three surface states, the multi-layer relaxed surface has two surface states. The surface energy of the ideal surface is higher than that of the relaxed surface, that means that the multi-layer relaxed surface is more stable than the former one, which supports the LEED results. The mono-layer relaxed Ag (111) surface is the most stable one among several" stable surface models"presented by several researchers. The surface energy of Ag (111) surface is higher than that of surface Ag (001), which supports some experimental results such as different reaction rate at different surface orientations for the same material. The surafce states of Si (111) surface not only locate near the Fermi level, but also in the valence band, which agrees well with Cohen's conclusion. Si (111)-H is an effective model for analysing the surface states and H adsorbed on the back surface is a good method for improving the convincingness of the results obtained on thinner slab models. The surface stability depends on three different kinds of MoSi〓(001) surfaces, the surface with mono-layer Si is the most stable one, and the surface with Mo at the first layer is the most unstable one among them. These are consistant with the Kemoda's experimental results. The valence bands of clean or K adsorbed CdTe (111) surface agrees well with the synchrotron radiation studies. The surface of CdTe (111) consists of four kinds of surface models which show different surface electronic structures and different surface structure stabilities. The conclusion agrees well with Wu's experimental work. The different absorbed alkali metals on the CdTe (111) surface give different adsorption characteristics which have relations not only with the valence electrons, but also with the core ones of the alkali metals. The electonic structures of Si-C alloys are different from that of Si-Ge alloys, and the energy band gaps of Si-C alloys do not increase linearly with Carbon concentration, our conclusion supports Alexander's results, but conflicts with Soref's one.

现分述如下： LMTO方法及其应用方面：1）通过对Nb（100）表面电子态分析发现清洁理想表面有三个表面态，多层弛豫表面有两个表面态；表面能大小说明多层弛豫表面更稳定，支持了LEED结果。2）通过对采用不同方法获得的几种不同Ag（111）表面稳定结构的表面能计算分析，给出了单层弛豫表面为Ag（111）表面的最稳定结构；从Ag（111）单层弛豫表面和Ag（001）表面的表面能比较，发现了Ag（001）表面表面能要比Ag（111）小的，表明了同种物质不同表面取向将表现出不同物理、化学性质，这是与实验中得出的结论是吻合的，3）通过对Si（111）表面态分析，不仅发现了Si（111）表面不仅具有居于费米能级附近的悬挂键所对应的表面态，而且还有很多表面态位于价带能量范围内，与Cohen等结果一致，H饱和slab模型背表面相当于增加了slab层的厚度，是一有效的变相增加slab层厚的方法，弛豫表面较清洁理想表面价带谱们低能端的少许移动，预示着总能降低，说明弛豫表面较清洁理想表面稳定。4）MoSi〓具有三种表面，从费米能级上态密度值大小得到单层Si表面最稳定，Mo原子为表层原子的表面最不稳定，双层Si原子表面居中的结论，这与Kemoda等人实验结果是一致的。5）通过对CdTe（111）表面表面电子态、表面结构稳定性及表面H、碱金属吸附的电子结构系列研究，不仅得出了CdTe（111）清洁及碱金属K吸附价带谱与同步辐射光电子谱相吻合的结果，而且发现了CdTe（111）表面具有四类不同原子近邻特征，表现出四类不同的表面结构及电子结构特征：不同表面态分布、不同的表面结构稳定性（表层原子与次层原子成三键有一悬挂键的表面要比表层原子与次层原子成一键有三悬挂键稳定（与Wu等人实验结果一致））、不同的H吸附特性。

Radioactive decay studies have found a kinds of elements can be α or β decay and the decay into another element, while the α-decay product of -α-rays became one of the deep structure of the material means of .1911, the Rutherford and others bombarded atoms with α-rays observed wide-angle deflection to determine the nuclear structure of atoms and nuclei was first proposed the term .1919 year, Rutherford and others have also found that with α-ray bombardment of nitrogen will release the nuclear protons, this is the first time Artificial realization of a nuclear reaction, after the bombardment of nuclei with the radiation caused by nuclear reaction method to become the primary means of research in nuclear.

放射性衰变研究发现了一种元素可以通过α衰变或β衰变而变成另外一种元素，而α衰变的产物——α射线又成了人们探讨物质深层结构的手段。1911年，卢瑟福等人用α射线轰击原子、观察到大角度偏折，从而确定了原子的有核结构，并首次提出原子核这一名词。1919年，卢瑟福等人又发现用α射线轰击氮核会放出质子，这是首次用人工实现的核反应，以后用射线轰击原子核来引起核反应的方法逐渐成为研究原子核的主要手段。

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。

Within the WBEPM theory,the transition probabilities and oscillator strengths of some heavier and light atoms and ions are investigated.We also used the conceptions of spectrum-level-like series and iso-spectrum-level series to study the energy levels of some atoms.Based on the previous work,we used double generalized Laguerre polynomial to calculate the value for the ground-state energy of He atom.

本论文在郑能武教授提出的最弱受约束电子势模型理论基础之上，对若干较重和轻原子离子的跃迁几率和振子强度作了研究；引入类光谱态能级序列的概念和等光谱态能级序列的概念研究了一些原子离子的能级性质；并在前人工作的基础上用双广义拉盖尔函数对氦原子的基态能量做了计算。

Recently,atoms with higher order vanishing moment were defined by Krant-z etc on some particular spaces of homogeneous type,but it hasn't been solvedthoroughly on usual spaces of homogeneous type.On the other hand,krantz'sstudy was made under the condition which the measure of the sets constructedby single element is zero,therefore their work didn't include the case of integ-er Z as a particular space of homogeneous type.Indeed,as a Hardy space on Z,〓(0＜p≤1)has been studied by some scholars.

尽管近来Krantz等人在某些齐型空间上定义了带高阶消失矩的原子，但在一般的齐型空间上建立带高阶消失矩的原子Hardy空间还没有完全解决，而且Krantz等人的工作是在单点集测度为零的条件下讨论的，因而不包括作为齐型空间的整数Z的情形。Z作为一类特殊的齐型空间，其上Hardy空间〓的问题有不少学者讨论过。

Said chemical matter comprises compound containing ammonium and halogen atom absorption, and lower carbon number hydrocarbons containing halogen atom and it's derivant; it can be used separately or together with urea, ammonia gas and natural gas.

这些化学添加物包括含有铵和卤原子的化合物、含有胺及卤原子的化合物以及含有卤原子的低碳烃及其衍生物，可以单独使用或与尿素、氨、天然气等主还原剂混合使用。

If monomer passes atom to transfer freedom radical group above all reacts, attainable extreme contains haloid atomic polymer, and haloid and atomic itself can serve as the raw material that folds nitride, click reaction to come true to be transformed further to polymer structure to use thereby offerred a possibility, golas [10] did special overview for this.

假如单体首先经过原子转移自由基聚合反应后，则可得到末端含有卤素原子的聚合物，而卤素原子本身可以作为叠氮化物的原料，从而为采用点击反应对聚合物结构实现进一步改造提供了可能，Golas等[10]为此做了专门的综述。

Titanium incorporated mesoporous molecular sieves Ti-MCM-41, Ti-HMS, and Ti-MSU were synthesized through S〓I〓, S〓I〓, and N〓I〓 pathways using cetylpyridium bromide, tetredecylamine, and polyoxyethylene (10) stearyl ether as the structure-directing agents, respectively. The framework structure and the titanium coordination environment of these materials were characterized by XRD, N〓 adsorption/desorption, TG, TEM, FT-1R, DR UV-Vis, and ICP-AES. It was confirmed that the titanium was highly dispersed in the silica-based framework positions, and all samples were free of extra framework titanium impurities. The catalytic performance of these titanium containing mesoporous materials was investigated in the oxidation of styrene with aqueous H〓O〓 as the oxidant.

以TEOS和TBOT为硅源和钛源，分别以溴代十六烷基吡啶、十四胺和十八烷基聚氧乙烯基醚为模板剂，通过S〓I〓、S〓I〓和N〓I〓方式合成了含钛的介孔分子筛Ti-MCM-41、Ti-HMS和Ti-MSU，用XRD、N〓吸附/脱附、TEM、FT-IR、DR UV-Vis和ICP-AES等方法对它们的骨架结构、孔道结构以及钛原子的存在方式等进行了系统表征，结果表明钛原子以高分散的形式存在于以SiO〓为基本单元的介孔分子筛的骨架结构中，制备过程中未形成聚集态的骨架外金属氧化物物种。

It has been put forward that there exists single Ball point and double Ball points on the symmetrical connecting-rod curves of equilateral mechanisms.

从鲍尔点的形成原理出发，分析对称连杆曲线上鲍尔点的产生条件，提出等边机构的对称连杆曲线上有单鲍尔点和双鲍尔点。

The factory affiliated to the Group primarily manufactures multiple-purpose pincers, baking kits, knives, scissors, kitchenware, gardening tools and beauty care kits as well as other hardware tools, the annual production value of which reaches US$ 30 million dollars.

集团所属工厂主要生产多用钳、烤具、刀具、剪刀、厨具、花园工具、美容套等五金产品，年生产总值3000万美元，产品价廉物美、选料上乘、质量保证，深受国内外客户的青睐