原子

Transition probabilities, oscillator strengths, and lifetimes of configurations, multiplets, and individual lines for many-electron atoms and ions are studied employing the WBEPM theory. Transition probabilities and oscillator strengths for alkali metal atoms, alkaline-earth elements Be, Mg, Be , and Mg , carbon atoms and its ions , nitrogen atom and its ions , oxygen atoms and its ions , fluorine atom, Ne , and IB elements are calculated. Lifetimes of C, N, and O atoms are evaluated as well.

运用WBEPM理论对多电子原子和离子的组态、谱项和能级间的跃迁几率、振子强度以及辐射寿命进行系统地研究，计算了碱金属原子、碱土金属的Be、Mg原子及其一价离子、C原子及其离子、N原子及其离子、O原子及其离子、F原子、Ne离子和重金属IB族原子的跃迁几率和振子强度以及C、N、O原子的辐射寿命。

The theoretical system for describing the structures of organic and drug molecules using 3 types of molecular electronegativity-distance is created based on various atomic types and atomic attributes. These MEDVs include MEDV-4 based on 4 atomic types and relative electronegativity and relative bond length to carbon atom, and molecular holographic distance vector based on 13 atomic types and relative bond length to carbon atom, and MEDV-13 based on 13 atomic types and atomic attributes and the modified electrotopological state index.

通过不同原子类型与原子属性划分方案，创建了3种形式的分子电性距离矢量即以4种原子类型划分方案和以碳原子为标准的相对电负性与相对键长为基础的分子电性距离矢量MEDV-4、以13种原子类型划分方案和相对键长为基础的全息分子距离矢量MHDV、以13种原子类型与43种原子属性划分方案以及修饰的电拓扑状态指数和拓扑距离为基础的分子电性距离矢量MEDV-13等3种矢量描述子表征分子结构的理论体系。

The results show: the strongest bond is the Al-Al bond in the segregated cell without containing vacancy, where the Al atomic covalence radius is greater than that of Li atom in the cell; while the strongest bond is the Al-Li bond in the segregated cell containing vacancy, and the Al atomic covalence radius in the cell is less than that of Li atom. Since the difference of electronagativity between the Al and Li atoms is obvious, it is inclined to formed the Al-Li segregated cell of short range order structure in the condition of vacancy present. The short range order structure containing vacancy is probably the embryo or precursor structure of the metastable phase δ′(Al3Li). Because the strongest covalent bond in the Al-Li-vacancy segregated cell in alloy formed in quenching is the main strength reason for supersaturated solid solution of alloy. The bond net of succeeding precipitation of δ′(Al3Li) has the picture of anisotropic Al-Al bonding and the bond intensity enhanced. Since the δ′(Al3Li) is coherence with matrix, the bond net strength is enhanced by the precipitation of δ′(Al3Li) and so strengthen the alloy.

计算结果表明：不包含空位的偏聚晶胞的键络最强键为Al—Al键，其中Al原子的共价半径较Li原子的共价半径要大；而含空位的偏聚晶胞的最强键为Al—Li键， Al原子的共价半径要比Li原子的共价半径要小；在空位存在的情况下，由于Al原子与Li原子的电负性相差明显，促使Al和Li原子结合，倾向形成Al-Li短程序结构偏聚区，这种含空位的短程序结构很可能就是δ′(Al3Li)亚稳相的前兆结构和生长胚胎；由于Al-Li-空位有序偏聚晶胞的Al—Li键络比基体键络要强许多，因此，淬火过程中合金生成的Al-Li-空位偏聚晶胞对合金过饱和固溶体起主要强化作用；后续析出的δ′(Al3Li)亚稳相键络各项异性显著，键络强度明显提高；由于Al3Li与基体共格，其大量均匀弥散析出起到提升基体整体键络强度，同样对合金产生强化作用。

The results show: the strongest bond is the Al-Al bond in the segregated cell without containing vacancy, where the Al atomic covalence radius is greater than that of Li atom in the cell; while the strongest bond is the Al-Li bond in the segregated cell containing vacancy, and the Al atomic covalence radius in the cell is less than that of Li atom. Since the difference of electronagativity between the Al and Li atoms is obvious, it is inclined to formed the Al-Li segregated cell of short range order structure in the condition of vacancy present. The short range order structure containing vacancy is probably the embryo or precursor structure of the metastable phase δ'(Al3Li). Because the strongest covalent bond in the Al-Li-vacancy segregated cell in alloy formed in quenching is the main strength reason for supersaturated solid solution of alloy. The bond net of succeeding precipitation of δ'(Al3Li) has the picture of anisotropic Al-Al bonding and the bond intensity enhanced. Since the δ'(Al3Li) is coherence with matrix, the bond net strength is enhanced by the precipitation of δ'(Al3Li) and so strengthen the alloy.

计算结果表明：不包含空位的偏聚晶胞的键络最强键为Al-Al键，其中Al原子的共价半径较Li原子的共价半径要大；而含空位的偏聚晶胞的最强键为Al-Li键，Al原子的共价半径要比Li原子的共价半径要小；在空位存在的情况下，由於Al原子与Li原子的电负性相差明显，促使Al和Li原子结合，倾向形成Al-Li短程序结构偏聚区，这种含空位的短程序结构很可能就是δ'(Al3Li)亚稳相的前兆结构和生长胚胎；由於Al-Li-空位有序偏聚晶胞的Al-Li键络比基体键络要强许多，因此，淬火过程中合金生成的Al-Li-空位偏聚晶胞对合金过饱和固溶体起主要强化作用；后续析出的δ'(Al3Li)亚稳相键络各项异性显著，键络强度明显提高；由於Al3Li与基体共格，其大量均匀弥散析出起到提升基体整体键络强度，同样对合金产生强化作用。

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。

In one embodiment, the invention is a system for initiating free radical polymerization comprising: a in one part, one or more amido-borate compounds containing one or more anionic amido-borate moieties comprising an organoborate wherein the boron atom is bonded to a nitrogen atom of ammonia or an organic compound containing one or more nitrogen atoms, such as a hydrocarbyl amine, a hydrocarbyl polyamine, or an aromatic heterocycle containing one or more nitrogen atoms and optionally containing one or more heteroatoms or heteroatom containing functional moieties, and one or more cationic counter ions and b in a second part, a liberating compound which reacts with the nitrogen atom bound to the boron atom upon contact with the amido-borate to form an organoborane radical.

在一个实施方案中，本发明是引发自由基聚合的体系，包括：a在一个部分中，一种或多种含有一个或多个包含有机硼酸根的阴离子酰氨基-硼酸盐部分和一个或多个阳离子抗衡离子的酰氨基-硼酸盐化合物，其中的硼原子键合到氨的氮原子或含一个或多个氮原子的有机化合物，例如烃基胺、烃基聚胺或含一个或多个氮原子和任选含一个或多个杂原子或含杂原子的官能部分的芳族杂环的氮原子上，和b在第二部分中，在与酰氨基-硼酸盐接触时与键合到硼原子上的氮原子反应形成有机硼烷基团的释放化合物。

This invention provides compounds of Formula; wherein: R is a moiety selected from the group: and n is an integer of 1 or 2; R is selected from hydrogen, amino,-NRR, alkyl of 1 to 12 carbon atoms optionally substituted, aryl of 6, 10 or 14 carbon atoms optionally substituted, alkenyl of 2 to 12 carbon atoms optionally substituted, alkynyl of 2 to 12 carbon atoms optionally substituted, halogen, and a 5 to 10 membered heteroaryl ring optionally substituted, having 1 to 4 heteroatoms independently selected from N, O and S; R is selected from hydrogen, alkyl of 1 to 12 carbon atoms optionally substituted, aryl of 6, 10 or 14 carbon atoms optionally substituted, alkenyl of 2 to 12 carbon atoms optionally substituted, vinyl, alkynyl of 2 to 12 carbon atoms optionally substituted and halogen; R is H, alkyl of 1 to 12 carbon atoms optionally substituted, cycloalkyl of 3 to 8 carbon atoms, bicycloalkyl of 5 to 10 carbon atoms or aralkyl optionally substituted; R is OH or -OH; R and R are each independently H or alkyl of 1 to 12 carbon atoms or when optionally taken together with the nitrogen atom to which each is attached form a 3 to 8 membered saturated heterocyclyl ring; R is alkyl of 1 to 12 carbon atoms optionally substituted; or a tautomer or pharmaceutically acceptable salts thereof.

本发明提供式的化合物；其中：R 1 为选自基团和的部分；n为整数1或2；R 2 选自氢、氨基、-NR 6 R 7 、具有1到12个碳原子的视情况经取代的烷基、具有6个、10个或14个碳原子的视情况经取代的芳基、具有2到12个碳原子的视情况经取代的烯基、具有2到12个碳原子的视情况经取代的炔基、卤素和具有1到4个独立地选自N、O和S的杂原子的视情况经取代的5元到10元杂芳基环；R 3 选自氢、具有1到12个碳原子的视情况经取代的烷基、具有6个、10个或14个碳原子的视情况经取代的芳基、具有2到12个碳原子的视情况经取代的烯基、乙烯基、具有2到12个碳原子的视情况经取代的炔基和卤素；R 4 为H、具有1到12个碳原子的视情况经取代的烷基、具有3到8个碳原子的环烷基、具有5到10个碳原子的双环烷基或视情况经取代的芳烷基；R 5 为OH或-OH 8 ；R 6 和R 7 各自独立地为H或具有1到12个碳原子的烷基，或当视情况与其所连接的氮原子连接在一起时形成3元到8元饱和杂环基环；R 8 为具有1到12个碳原子的视情况经取代的烷基；或其互变异构体或医药学上可接受的盐。

The results show:(1) that the dynamical properties in the system depend on the degree of entanglement of the initial two identical two-level entangled atoms and the intensity of the coherent optical field, and the atomic dipole moment can be completely squeezed via choosing optimal degree of entanglement of the initial atoms in the feeblish optical field;(2) that the quantum properties of the system also depend on the degree of entanglement of the initial two identical two-level entangled atoms and the intensity of the coherent optical field, and the radiation field can be effectively squeezed via choosing optimal degree of entanglement of the initial atoms in the feeblish optical field.

结果表明：(1)相干态光场的强度和两原子的初始纠缠度对原子的动力学行为有很大的影响。原子布居的振荡频率及幅度和原子偶极压缩的演化规律与光场强弱和两原子初始纠缠度相关联。在弱光场下，选择合适的两原子初始纠缠态，原子偶极矩可以完全被压缩。(2)相干态光场的强度和两原子的初始纠缠度对光场的量子特性也有很大的影响。光场的二阶相干性质和光场的压缩效应均与光场强度和两原子纠缠度相关联。在弱光场中，选择合适的两原子初始纠缠度，光场压缩深度和时间可达到最大。

This invention relates to a method and device for generating cold atomic beam. Said method includes heating hot atom source in vacuum chamber to form atomic saturated vapor pressure atmosphere, cooling hot atom by three-D MOT to below 200uk and trapped to form cold atomic cloud, by the quarter wave plate reflection mirror in MOT the laser radiation pressure being unbalanced to make cold atom emitting along said direction, four tape arranged straight line set with contrary current direction is set in atom beam emission direction, which makes the atom emitted to forward to obtain cold atom beam with low speed, large flux and small transverse speed, laser beam vertical with atom beam set in the direction of cold atom emitting for atom beam state preparation to realize state concordant emitted cold atom beam.

本发明涉及一种冷原子束产生方法和装置，该方法包括在抽真空的真空室内，加热热原子源，在真空室中形成相应的原子饱和蒸汽压气氛；采用三维MOT对热原子进行冷却，冷却到200μk以下，并被捕获形成冷原子云团；通过三维MOT中开小孔的四分之一波片反射镜，而使得在该方向上激光辐射压力不平衡，使冷原子沿此方向出射；在冷原子束出射方向上，还置有载有彼此电流方向相反的四根成锥形排列的直导线，从而原子出射时将在磁场的作用下，不会沿横向膨胀而向前射出；便得到了出射速度低的、通量较大的、横向速度非常小的连续冷原子束；同时在冷原子束的出射方向上，设置有与原子束垂直的激光束，用于原子束的态制备，实现态一致的出射冷原子束。

The electronic structures of cluster Fe8 with D6h symmetry and Fe15 with Oh sysmmetry have been studied by MS-X method..The results show that(1 the exchange splittings of the d-band and the magnetic moments of the Fe-atoms are different in the two clusters;(2)the change distribution in both clusters is not uniform,showing that the electrons are transferred from peripheral atoms to inner atoms,and the spin-directionof the electrons transferred is in accordance with the symmetric characteristics...

用MS-Xα方法研究了Fe8原子簇（具有D6h对称）和Fe15原子簇的电子结构，结果表明：（1）两种原子簇中的Fe原子磁矩及其d能带中的交换劈裂性质互不相同；（2）两类原子簇中的电荷分布不是均匀的，电荷倾向于从外围原子向内部原子上转移，并且被转移电子的自旋方向与原子簇的对称性质密切相关。

On the other hand, the more important thing is because the urban housing is a kind of heterogeneity products.

另一方面，更重要的是由于城市住房是一种异质性产品。

Climate histogram is the fall that collects place measure calm value, cent serves as cross axle for a few equal interval, the area that the frequency that the value appears according to place is accumulated and becomes will be determined inside each interval, discharge the graph that rise with post, also be called histogram.

气候直方图是将所收集的降水量测定值，分为几个相等的区间作为横轴，并将各区间内所测定值依所出现的次数累积而成的面积，用柱子排起来的图形，也叫做柱状图。