价电子

Compared with the density of states of the alloying system, the increase of the structural stability of Mg-Al alloy with Sb or Bi additions attributes to an increase in the bonding electron numbers at lower energy level below Fermi level, which mainly originates from the contribution of the valence electron numbers of Mg, Mg, Al, Bi and Sb orbits.

电子态密度的分析结果进一步表明，Mg-Al系合金中相结构稳定性提高的主要原因在于：Sb、Bi合金化后，体系费米能级以下低能级区成键电子数的增多，其来源主要是Mg、Mg、Al、Bi和Sb的价电子。

Learning the valence shell electron pair repulsion theory, they need to determine the shapes of simple molecules with the help of models and 3-D animations.

通过学习价电子对互斥理论，在模型和3D 动画的帮助下，构建出分子的形状。

Experimental investigations and theoretical analyses on the structure and electromagnetic properties of the samples were systematically made with XRD~ DTA~ VSM and resistance measurements. The valence electron structures of the Feu solid solutions were calculated by means of the empirical electron theory of solid and molecules.

利用XRD、DTA、VSM及不同温度下的电阻测量，对合金材料的结构、电磁学性能等进行了实验和理论研究，用固体与分子经验电子理论计算了Fe-Cu合金的价电子结构。

Whereas the calculation result of electric structure shows that the front valence electron of face (001) of gibbsite is active correspondingly. That is there may be some activity points on this face.

氢氧化铝的(001)面的前线价电子较为活跃，其晶面可能存在与铝酸钠溶液中不同形态的铝酸根离子或者是晶体生长基元发生键合的"活性点"。

It is suggested that the special electronic structure (3d〓4s〓) of Cu plays a crucial role in promoting the formation of the heptagon defects connected with the branching structures.

对铜催化产生七元环拓扑缺陷的机理进行了初步探讨，提出了铜原子特殊的价电子结构（3d〓4s〓）促成七元环形成的新观点。

The formula k of empirical electron theory of solid and molecules is derived by quantum mechanics with consideration of probabilities of orbital s, p, d , occupied by electrons, and a new formula k is given.

作者曾考虑了s， p，d轨道被价电子占据的几率，对固体与分子经验电子理论中的k公式重新进行了量子力学推导，给出了一个新的k公式。

Crystal lattice constants are close to other experiment results. Three kinds of chemical bonds exist among Mg and B atoms, between magnesium and boride is ionic bond and metallic bond is the predominant interaction in the layer formed by magnesium atoms. A strong covalent bond in the form of sp2 hybrid between boride atoms is the most important factors which can affect the transition temperature of MgB2. Population analysis clearly shows that electrons are transferred from Mg to B, as a result, the electron-phonon coupling in the layer of B is very strong.

规范保守赝势的计算结果表明，晶格常数与实验值误差在很小的范围内，分析了引起MgB2(001)面结构超导转变时电子浓度和偏态密度的变化情况，发现构成该超导体结构的成键有3种，着重从结构的电子浓度变化分析了其超导特性，六角蜂窝状结构中硼原子间相互作用为sp2杂化的共价键，镁原子和硼原子之间是离子键结合，镁原子层是金属键结合，镁原子的价电子部分转移到硼原子的pz轨道，部分电子为镁原子层共用。

Halogen atoms contain seven electrons in their valence shell, and, consequently, are monovalent

卤原子在它们的价电子层含有七个电子，因此是一价的。

All unique properties of charges, spins and crystal structures of transition metal-oxides can attribute to their symmetrical valence electron orbital. Indeed, many important features, such as high temperature superconductivity, colossal magnetoresistance effect and metal-insulator transition are in closely connection to the complicate charge-spin interaction.

中文摘要过渡金属氧化物中，电荷、自旋及晶体结构等属性，皆与价电子轨域对称性有关，因为它们的电子电荷与自旋彼此间的交互作用，以及晶体结构上的转变，产生如：高温超导、庞磁阻效应及金属绝缘相变等物理特性。

By using the calculated results of EET theory, the local valence electron structure elements of residual chemical bonds of Al-Si and Mg-Al alloy melts, that is, the residual bond structure models, were established. From the viewpoint of effect of pressure on melt structure, the essential reason of deviation phenomenon for maximum solution point and eutectic point in thermodynamics equilibrium phase diagram was analysed. Moreover, under pressure condition, the change of thermodynamics equilibrium phase diagram was macroscopic reflection of microstructure change of alloy melt.

运用固体与分子经验电子理论的计算结果分别建立Al-Si、Mg-Al两种合金熔体的剩余化学键的局域价电子结构基本单元即残余键结构模型，从压力对熔体结构作用的层面，分析热力学平衡相图中最大固溶点和共晶点发生偏移的本质原因，并指出压力作用下热力学平衡相图的变化是合金熔体微观结构信息变化的宏观反映。

According to the clear water experiment, aeration performance of the new equipment is good with high total oxygen transfer coefficient and oxygen utilization ratio.

曝气设备的动力效率在叶轮转速为120rpm～150rpm时取得最大值，此时氧利用率和充氧能力也具有较高值。

The environmental stability of that world - including its crushing pressures and icy darkness - means that some of its most famous inhabitants have survived for eons as evolutionary throwbacks, their bodies undergoing little change.

稳定的海底环境─包括能把人压扁的压力和冰冷的黑暗─意谓海底某些最知名的栖居生物已以演化返祖的样态活了万世，形体几无变化。