键

The formation situation of the band for transition metallic carbonyl cluster compounds is analysed with the bond valence formula for atomic cluster compounds.

本文运用原子簇化合物键价计算公式，对过渡金属羰基簇合物成键情况进行了分析，利用金属键轨道数，价非键轨道数和金属配体成键轨道数计算簇合物价轨道总数。

The influences of the inclusion of Na~+ into each conformer (C7AB, C7"AB, C7eqB, C5A, C7axB orα"B) of AD molecule on the Ramachandran angles of molecular backbone and the hydrogen bonds in AD moiety were discussed in detail. It was found that in the forming process of bidentate structures of Na~+-AD ion-complexes, the original H-bonds in AD molecule were fully broken down, accompanying with the new formation of the two Na-O bonds.

论文中详细探讨了Na~+-AD络合离子六种构象的空间构型，分析了丙氨酸二肽与Na~+作用过程中AD分子骨架Ramachandran角及分子内N(1)–H(1)…O(2)、N(2)–H(2)…O(1)、N(1)–H(1)…N(2)和N(2)–H(2)…N(1)氢键的变化，研究发现Na~+与AD分子形成双齿结构时，AD骨架中原先的氢键全部被破坏，继而形成了两个新的Na-O键；Na~+与AD分子形成单齿络合离子时，AD骨架中原先的氢键或者得到增强或者断裂之后出现新的强度更大的氢键。

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。

The strongest attraction between two dipoles is when one or both of them involves a bond between hydrogen and a strongly electronegative atom, like oxygen, fluorine, or nitrogen.

氢键：氢键是极性很强的X－H键上的氢原子与另外一个键上电负性很大的原子上的孤对电子相互吸引而形成的一种键。

Enhanced keyboard.A computer keyboard modeled after the enhanced keyboard; introduced by IBM for the IBM PC/AT. The 101-key keyboard and the enhanced keyboard are similar in the number and function of their keys; they may differ in the way the keys are laid out, the amount of tactile feedback expressed when a key is pressed, and the shape and feel of the key-caps.

键键盘 在改进型键盘后的另一种计算机键盘模式，由 IBM 为 IBM PC/AT 生产。101 键的键盘在键的数目和功能方面与改进型键盘相似，但是键的布局和按键时表达的触感反馈量，以及键的形状和手感可能不同。

When all the enemies may be able to pass out more and enter the upgrade menu, a total of three can be upgraded: body volume upgrade upgrade upgrade weapons and weapons firing rate options: A button: fire up and down arrow keys: rotate the body S Key: Laser guns blank keys: keys to accelerate D: slow-motion mode

当所冇敌人都些灭后就可鉯过关，并且进入升级单选，ー共冇三种可鉯升级：升级机体血量升级武器威力升级武器射速玩法：A键：射击方向键仩下：旋转机体S键：雷射炮涳白键：加速D键：慢动作模式

It is found that from bond population calculation results, the bonding strength of Al—O bond of faces (011) and (011) of gibbsite are stronger than that of face (001). If the proportion of unfold of (001) surface is decreased and the proportion of unfold of (011) and (011) surfaces is increased to same possible extend, the bonding strength of Al—O bond of gibbsite would be more strong.

键布居分析结果表明，整体上氢氧化铝的(001)面的Al—O键的结合力不强，(011)和(110)面的Al—O键的平均键布居数较高，结合力较强；若小幅度降低(001)面的显露比例，并使(110)和(011)面较多显露，就有可能提高氢氧化铝表面的Al—O键的结合力。

The result indicates that the hyperconjugation effect from lone pairs on nitrogen atoms to germinal N-N bonds can play an important role in the N-N bond length. The N-N bond length displays reverse dependence on the charge density in bond critical points obtained from AIM.

NBO分析表明N原子孤对电子到相邻的氮氮键的超共轭作用是影响氮氮键长变化的主要因素，AIM计算的氮氮键的键临界点电荷密度与键长呈反比关系。

In order to solve the problems of aging of dope and Weather fastness energy balance,we have researched and developed the impregnant dope of tetracopoly merization,which constitute mainly.

引言含氟聚合物的碳氟键离解能比碳氢键离解要大得多，而碳氟键的键长又比碳氢键短，所以氟树脂有良好的机械性能、优异的耐化学品性、优良的热稳定性、耐侯性以及高度不粘性和低的磨擦系数。

Emergence of the phenomenon of the keyboard keys of the card by the following two reasons: a reason for this is that the plug cap below the location of offset column, making keycap button after pressing the body shell is not stuck up and created a card key, This causes the occurrence of the new keyboard or use the keyboard soon.

出现键盘的卡键现象主要由以下两个原因造成的：一种原因就是键帽下面的插柱位置偏移，使得键帽按下后与键体外壳卡住不能弹起而造成了卡键，此原因多发生在新键盘或使用不久的键盘上。

What are your goals and strategies for growth?

你的成长目标和策略是什么？

And unto the angel of the church in Sardis write; These things saith he that hath the seven irits of God, and the seven star I know thy works, that thou hast a name that thou livest, and art dead.

3：1 你要写信给撒狄教会的使者，说，那有神的七灵和七星的，说，我知道你的行为，按名你是活的，其实是死的。