The relationship between bond valence and bond covalency has been investigated by a semiempirical method. 用一种半经验方法研究了固体材料中键电荷与键共价性的关系。
So this would mean the bond order is equal to1/ 2, and in terms of valence electrons, how many bonding valence electrons do we have? 这意味着键序等于,对于价电子,有多少个成键价电子?
OK, then it says draw a single bond from each surrounding atom to the central atom, and subtract two valence electrons. 后将中心原子与其相邻原子之间,连上单键,然后减掉2个价电子。
So let's just prove that to ourselves and figure out the bond order just using valence electrons. 让我们证明一下这一点,来看看只用价电子算出键序。
So what I want to tell you is we also always get the same bond order if we instead only deal with the valence electrons. 我想要说的是我们如果,只考虑价电子也可以得到相同的键序。
So, we can think about now how do we describe this bond in valence bond theory. 我们现在可以考虑,怎么在价电子成键理论中描述这个键。
Ased on the combination of the point-charge-model and the concept of effective bond valence, a new theory of point-charge-effective-valenc was developed. 将点电荷模型和有效价键理论结合起来,发展成点电荷-有效键价模型理论。
Bond Network Analysis and Calculation of Valence Electron Structure of Mg_ ( 17) Al_ ( 12) Phase Mg(17)Al(12)相电子结构计算与键络分析
One of the model theories for band aligning is average bond energy model, in which the average bond energy is used as a reference level for determining valence band offsets. 将平均键能方法推广应用于应变层异质结的价带和导带阶研究。
Prospects for the further studies in the line of bond valence parameters were briefly presented. 用不同参数进行键价和的计算并对结果进行了对比和讨论,最后展望了相关研究的前景。
The mechanism of the catalytic wave was considered that the disulfide bond was regenerated through oxidation reaction of reduction product& SH group by KIO 3 and its derived species with intermediate valence state ( including free radical IO-·, IO-· 2). 当KIO3存在时,在原电位处产生了LE的极谱催化波.该催化波是由于KIO3及其中间价态衍生质点(包括自由基IO-·,IO-·2)氧化LE还原产物巯基成双硫键所致。
Through comparing the valence electron structure in austenitic crystal cell among all kinds of alloys, the strong covalent bond of austenitic crystal cell valence electron structure is thought as a main factor to influence the stability of austenite. 对各种合金奥氏体晶胞价电子结构进行比较后,认为影响合金奥氏体稳定性的主要因素是奥氏体晶胞价电子结构的强共价键。
Calculation and Analysis of Bond Valence of Transition Metallic Carbonyl Cluster Compounds 过渡金属羰基簇合物的键价计算和分析
By using bond length difference method, the valence electron structure for α-AgI is given in this paper. The method has provided satisfactory results. 本文用键距差分析方法分析了α-AgI的价电子结构,获得了比较满意的结果。
Based on the results of the determination of its crystal structure the crystallochemistry of scawtite ( e, g. structural distortion of the coordination polyhedra) is also discussed in terms of bond valence model. 根据晶体结构测定结果,作者应用键价模型讨论了碳硅钙石结构中配位多面体的结构畸变等晶体化学问题。
Bridging ligands involved in compounds reveals the various valence-bond nature and steric structrue, which promote the development of valence-bond theory, coordination catalyst as well as biology simulation. 桥联的出现使化合物表现出花样繁多的价键本性及空间结构,既促进了化学健理论的发展,也促进了配位催化及生物模拟的发展。
According to hydrogen atomic structure, this article states the character of making bond and valence bond of hydrogen atom, so that, it makes us to know this variety of matters and the complicacy of material structure. 本文从氢原子结构出发,论述了氢原子的成键特征和化学键特征,从而进一步认识物质的多样性和物质结构的复杂性。
Bond-Valence Calculation for Oxide Superconductor 氧化物超导材料的键价计算
The Multiple Centre d-p π Bond and the Configuration of Molybdenum Cluster Compounds in Higher Oxidation States(ⅱ) The Rule of Cluster Valence Electron Number and Distortion of the Configuration 多中心d-pπ键与高氧化态钼簇合物的几何构型&(Ⅱ)簇价电子数规则与构型畸变
These weak bond levels have been shifted to some location near the top of valence band or near the bottom of conduction band due to ex'tra charges. 过剩电荷使弱键能级移至价带顶或导带底附近;
Bond length energy of valence orbit and the vibrational frequence of chemical bond A-H 键长、价层轨道能与A&H键振动频率
We have calculated the bond distributions and atom positions of GaAs/ GaInNAsSb superlattices using Keating's semi-empirical valence force field ( VFF) model and Monte Carlo simulation. 用Keating的价力场(valenceforcefield)模型和蒙特卡罗方法计算了GaAsGaInNAsSb超晶格中键的分布、原子的精确位置以及应变。
The bent bond states mainly appear near the top of valence band. 弯键态主要出现在价带顶附近。
By using the computer program of this method, we have calculated the bond order and free valence of some repeated-unit systems with various sizes ( up to 1600 atomic orbitals), and the boundary and size effects are also revealed. 用该法的计算机程序计算了几种由小到大(1600个原子轨道)的重复单胞体系,求得键级、自由价,并通过这些量的变化分析了边界效应及尺度效应。
Study on the Bond Valence Parameters for Tungsten-oxygen Bonds 钨氧键价参数的研究