查询词典 atomic bond

The changes of Mo-Mo bond order and atomic charges with n increasing are discussed.

讨论了随n增加，配体S， S~2， S~4对Mo-Mo键序、原子电荷的影响及其变化规律。

First, the basic concepts of atomic structure, chemical bond, molecular and crystal structure are discussed with modern quantum mechanics knowledge and some physical methods for structural determination are introduced.

本课程也适当介绍化学学科的发展方向和研究前景，为希望在化学领域内继续深造的同学提供台阶。

Finally, direct against several difficult point questions of chemical course teaching, for example: Such micro structure contents as atomic structure , chemical bond and molecular structure ,etc, have integrated research , integrate the achievement studied to apply to teaching.

最后，针对化学课程教学的几个难点问题，例如：原子结构、化学键与分子结构等微观结构内容，进行了整合研究，整合研究的成果应用于教学之中。

The diameter of nano-particle is small and its surface energy is high. Atomic valence bond of particle surface is not saturation and surface atoms have extremely physical and chemical activity. So, nano-particle is apt to agglomerate to make difficult to bring its excellent properties to completely play and to modify polymer.

纳米粒子粒径小，表面能大，且粒子表面的原子价健处于不饱和状态，表面原子有极大的物理与化学活性，因此纳米粒子非常易于团聚和吸附，而使得其拥有的性能难以充分发挥，从而失去应有的对高分子材料的改性作用。

It was indicated that the effect of crystal orientation on interfacial stability is because of the different atomic bond number formed in the solidification of liquid atoms on different crystal planes, which affects the decrease of system energy, and affects the effective jump frequency of liquid atom migration to solid interface and solid atom migration to liquid, and finally affects the solute distribution in the front of liquid-solid interface and composition undercooling.

研究表明，晶体取向对凝固界面稳定性的影响是由于液相原子在不同晶面结晶面上沉积时形成的原子键不同，影响了系统自由能的降低，影响了液相原子迁移至固相界面上的有效跳动频率和固相原子迁移至液相中的有效跳动频率，影响了液固相界面前沿的溶质分布和成分过冷所致。

It is shown that, as a result of the interstitial impurities, the number of atomic states increases, bond structures become seriously anisotropic,β→α transformation becomes hindered, and the phase transformation in the intermediate content becomes very complex.

表明，间隙杂质提高了合金元素的原子杂阶，引起键结构呈严重的各向异性，阻碍了β→α相转变，导致中间成分相变的复杂性。

E. , plastic deformation developed into a critical state, local stress in dislocation-freezone will be equal to atomic bond strength, which will induce the initiation of SCC microcrack.

为了说明这个附加拉应力在阳极溶解型SCC中的主要作用，对不同含H〓O量的甲醇溶液，用慢拉伸法测量了SCC敏感性，同时测量了自然腐蚀时表层拉应力的大小。

Shanghai 201208, ChinaAbstract : Frameworks of Na n ZSM-5 type zeolites with various Si/Al ratios have been constructed and optimized with molecular dynamic quench simulation. The results show that the structure parameters of Na n ZSM-5 type zeolite, including the bond length and atomic charges, are consistent with those predicted by ab initio cluster calculations.

利用分子动力学quench方法对所搭建的具有不同硅铝比的NanZSM-5型分子筛进行了优化，结果表明其键长、原子电荷等结构参数与 ab initio 计算法得到的结果相吻合。

The largest corrected intermolecular interaction of the mixture is 24.51kJ/mol. Atomic net charges and nature bond orbit are analysed. The charge transfer between two molecules is great. The weak hydrogen bonds are formed in H…O and F…H.

原子静电荷和自然键轨道分析表明，高聚物粘结剂与硅烷偶联剂之间存在较强的电荷转移，分子间存在H…O和F…H等弱氢键作用。

By density functional theory B3LYP method with 6-31G basis set, the geometry and electronic structure of the natural inhibitor and derivatives of Adenylosuccinate synthetase were optimized and their thermodynamic stability was also analyzed. The relationship between their electronic structures and bioactivities were discussed based on the Mulliken bond order, atomic net charge distribution and molecular surface electrostatic potential.

利用密度泛函B3LYP方法选择6-31G基组对腺苷酸琥珀酸合成酶天然抑制剂及其衍生物的结构进行优化，并对其稳定性进行了分析，同时采用Mulliken键序、原子电荷分布、表观静电势等对AdSS抑制剂及其衍生物电子结构与其生物活性相关性进行了理论研究。

A carrier gas such as nitrogen is directed through line 20 and valve 22 to connect with line 26 and mix with the gas sample.

如氮气之类的载体通过管线20和阀22引入，与管线26相通，与气体样品混合。

But for the most part, knaves and parasites had the command of his fortune

然而支配他的家产的大多是恶棍和寄生虫。