原子

Similar to the oxidation process of Si(111)-7×7 by water,the gradual insertion of S atom into Si_a-Si_s backbond is possible to occur,and the insertion pathway,which begins with directly destroying Si_a-Si_s backbonds by a foreign H_2S molecule,remains more favorable.However,when H_2S attacks at the Si_a site to split Si_a-Si_s backbond with its S or H atom,there is no distinct thermodynamical and kinetical difference between these two attacking behaviors,whereas Si_a-Si_s backbond is easilier broken when H_2O attacks at the Si_a site with its O atom.This mainly lies in the fact that the electronegativity of oxygen is larger than that of sulfur.

5类似于H_2O对Si(111)-7×7的氧化历程，S原子逐步插入Si_a-Si_s键是可以发生的，且H_2S直接打开Si_a-Si_s键进而使S原子插入的途径仍是动力学上较为有利的，但H_2S以S或H原子进攻Si_a位从而打开Si_a-Si_s键的两种反应机制在动力学和热力学上并没有表现出明显的差别，而当H_2O以O原子进攻Si_a位时，Si_a-Si_s键则较容易断裂，这应归因于O的电负性比S大。

Five of their single crystals were obtained and their structures were determined by X-ray diffraction. By comparison, it was found that dithiocabamate complexes often formed an exactly planar MS4 unit, such as [Mo(R2dtc)2]; and also formed a special MS 5 unit, such as [Cu2(R2dtc)4], the copper atom lies in a distorted square-pyramidal environment.Four kinds of heteropoly acids were prepared and characterized; a series of solid superacid catalyst of supported heteropoly acid were prepared and characterized; regioselectivites of chlorobenzene mononitration with nitric acid with different heteropoly acid on different supports and reaction conditions have been investigated.

培养并解析了5个该类配合物的单晶结构，通过比较，发现二硫代氨基甲酸盐与过渡金属容易形成四配位结构，金属原子与4个硫原子共平面，比如二乙基二硫代氨基甲酸钼；也能形成比较特殊的五配位结构，比如二乙基二硫代氨基甲酸双核铜，Cu原子与5个S原子相连，处于一个变形的四方锥结构的配位环境。

Halogenated aromatic compounds with great q〓(the most negative net atomic charges on an atom of the molecule), ENC (electron-nuclear attraction energy of the one-center term for the carbon atoms of the weakest carbon-halogen bond), qc (thenet atomic charges on the carbon atom of the weakest carbon-halogen bond) and E〓 tend to be reductively dehalogenated slow, while halogenated aromatic compounds with high values of △E (the difference of front-line orbital energy), EEC (electron-electron repulsion energy of the one-center term for the carbon atoms of the weakest carbon-halogen bond), Mw, q〓 and α tend to be reductively dehalogenated fast.

卤代芳烃化合物的整个分子的最负的原子净电荷，键序最小的碳卤键中碳原子的单中心项电子-核吸引能，该碳-卤键上碳原子的净电荷和E〓与该卤代芳烃化合物还原脱卤的速率常数负相关；而前线轨道间隙能，键序最小的碳卤键中碳原子的单中心项电子-电子推斥能，Mw，q〓和α与该卤代芳烃化合物还原脱卤的速率常数正相关。

The results show that the transition between HOMO and LUMO in the three compounds is the electronic transformation from C1, C2, C3 and C4 to hetero-atoms (N atom in pyrrole, O atom in furan and S atom in thiofuran).

结果表明，这三种五元化合物HOMO到LUMO的跃迁是电子从C1、C2、C3和以转移到杂原子（毗咯中的N原子，呋喃中的O原子和噻吩中的S原子）上，并在6-31G水平上用单激发组态相互作用方法分别计算了三种物质的荧光光谱，所得计算结果与实验值基本符合。

A metastable helium atomic beam effused out of atom source is firstly cooled transversally by laser. This well-collimated atomic beam traveling through the light standing-wave whose direction is perpendicular to atomic beam is quenched, and channeling effect happens in atomic density distribution.

亚稳态原子束从原子源喷出后首先对其进行横向激光冷却，准直后的原子束穿过与之垂直的激光驻波场时发生淬火过程，原子的密度分布出现沟道化效应，给出基于光掩模制作纳米图形的基本原理、理论分析及模拟结果。

It is shown that the atoms from trapped state in Bose-Einstein condensate excited to untrapped states by two-mode radiation frequency maintain properties of coherent states.

结果表明：在光场作用下，V型三能级原子BEC中被激发到非俘获态的原子，仍保持其相干态的特性，从而在理论上证明了利用V型三能级原子BEC与双模压缩相干态光场相互作用可以产生双模原子激光。

Particularly, the neutral anion fluorescence chemical sensor uses cholic acid molecules as the molecule frame, and introduces a neutral thiourea or ureido to the positions of a 3 bit carbon atom and a 24 bit carbon atom to be used as a bonding unit; a fluorescence chemical functional group is introduced to the positions of the 3 bit carbon atom and the 24 bit carbon atom or to other positions and used as a signal unit, and then a neutral anion fluorescence chemical sensor is synthesized.

具体而言是以胆酸分子为分子骨架，在其3位碳原子和24位碳原子上引入中性硫脲或脲基，作为键合单元；在3位碳原子和24位碳原子上或其他位置引入具有荧光化学官能团，作为信号单元，合成中性阴离子荧光化学传感器。

Results show that the less the Stark shift is, which will weaken the interaction between the field and atom, and the higher the fidelities of the three systems are.

结果表明，斯塔克常数越小，原子和光场的关联就越弱，系统、光场和原子的保真度就越大；平均光子数越大，原子和光场的相互作用就越强，系统和原子的保真度就越小。

In this paper, we discuss fidelities and fidelity amplitudes for some models including single-mode field interacting with atom system, two-mode field interacting with atom system, field interacting with atom by multiphoton process system and binomial field interacting with atom system and find some meaning result.

文章中具体研究了单模光场与原子相互作用系统、双模光场与原子相互系统、多光子过程与原子相互作用系统以及二项式光场与原子相互作用系统的保真度的演化特性，以及部分模型的保真度振幅的演化特性，并得出了许多有意义的结果。

When Nb segregates at grain boundary, the bonds across grain boundary are strengthened, while the interactions between Nb and its neighboring atoms are weakened.

Nb和Ti周围的Fe原子相互作用有所减弱，而Nb和Ti原子两边的跨晶界的原子间的相互作用加强，反映了替位Nb、Ti原子强化Fe晶界的作用。

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。