查询词典 atomic bond

Especially to atomic structure, chemical bond theory and molecular structure, coordinate chemical compound ,etc.

重点对原子结构、化学键理论与分子结构、配位化合物等进行图片或动画素材的制作。

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 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。

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。

The regularities of the substitution effects of the electron-pushing group and the electron- withdrawing group on the electronic structures and the related properties of the complexes, e.g. the energies and the compositions of some frontier molecular orbitals, the spectroscopy properties, the atomic net charge populations on main ligands, the coordination-bond lengths and the coordination-bond angles of the complexes, etc. have been investigated.

探讨供电子基团和拉电子基团在主配体上的取代对配合物的电子结构及相关性质，如配合物前沿分子轨道的能量、组成、光谱性质、原子的净电荷布居及配位键长键角等的影响规律。

Since historical times,England ,where the early inhabitants were Celts, has been conquered three times .

从有历史以来，英国，在此地早期居住的是凯尔特人，已经被征服了三次。

Bluetooth OBEX File Transfer Enables the sending and receiving of files on your phone via Bluetooth.

蓝牙OBEX文件移动允许经过蓝牙传送和接受文件。。。。