bond order
英 [bɒnd ˈɔːdə(r)]
美 [bɑːnd ˈɔːrdər]
键级；键序
双语例句
- 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？ - So we would predict a bond order of1.
所以我们预测键序是。 - So let's figure out the bond order for our two molecules here that we figured out the electron configuration for.
让我们看看这里，两个分子的键序是多少。 - What kind of a bond is a bond order of1?
什么样的键键序是1？ - 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。 - On the basis of quantum chemical calculation, the bond order, length and other structure parameters are further analyzed.
在量子化学计算基础上，进一步对其键级、键长等结构参数进行了分析。 - So what we see is a bond order of0, and again, the bond is very, very weak.
我们看到键序是0，同样的，键非常非常的弱。 - So our bond order for h e2 is going to be equal to0.
所以He2的键序等于0。 - 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。 - The way that we can figure this out is using something called bond order, and bond order is equal to1/ 2 times the number of bonding electrons, minus the number of anti-bonding electrons.
我们可以用叫做，键序的概念来弄明白它，键序等于1/2乘以成键电子，数目减去反键电子数目。 - A kind of method of bond order population analysis
键级布居分析的一种方法 - Molecular Orbital Theory of Bond Order and Valency
键级和化合价的分子轨道理论 - Authors first give a brief description of the Mulliken population analysis method and then dwell on bond order and valency according to Mulliken's method, by adopting elegant matrix formulation of the LCAO-MO theory.
作者简介了密立根布居数分析法，并以此为基础讨论了键级和化合价，应用了别致的原子轨道线性组合分子轨道理论（LCAO&MO）的矩阵公式。 - Relation between Vibration Frequency of Organic Compound and Bond Order
有机化合物振动频率与键级的关系 - The structure of the B acid sites formed after hydration has been discussed by using the results of changes in bond order, bond length and partial charge on oxygen.
根据键级、键长和氧电荷计算结果，还讨论了样品吸水后产生的B酸位结构。 - Deduction of the Structure Formulas and the Bond Order of the Small Nitrogen Covalent Molecules
含氮小分子键级的计算与结构式的推断 - Based on the discussions of MO Following and the bond order change between the designed pairs of basis orbitals on excitation, the most reasonable ring-opening mode of the title compound appeared to be the direct suprafacial 1, 3-hydrogen migration.
基于分子轨道跟踪法和激发分子基础轨道对间的键序变化讨论.标题化合物最合理的开环模式是同面的1,3氢迁移。 - Combining with the calculations of bond order, this paper also gave the electronic structure of transition metal Ni, the changes and characteristics of DOS spectra, band width, Fermi level and band structure energy according to the variation in crystal constants.
与键序积分计算相配合，计算了金属Ni的电子结构，给出了随晶格常数变化态密度谱、带宽、费米能级及带结构能的变化规律和特征。 - By comparing energies of the clusters, net charges of atoms, bond order functions and other parameters, conclusion has been drawn which is in good agreement with that of Kastners, and thus supports his valence-alternation pairs theory.
从原子簇能量、原子净电荷、键级函数（双原子能量）等方面作了比较，取得了与Kastner相一致的结果，验证了K-A-F的换价对（VAP）理论。 - The ratio of force constant and convert mass was expressed a function of electric charge, bond length and bond order etc.
本工作将力常数和折合质量的比值表示成理论计算结果中原子的电荷、化学键的键长和键级等信息的函数，由此建立起理论计算与实验红外光谱频率之间的联系。 - A simple approximate equation has been proposed in this paper. It can be used to estimate the bond dissociation energy of the covalent bond in conjugated systems from the π-bond order computed through the HMO methed.
本文提出一个由HMO法计算π键级的估算共轭体系中键离解能的简易近似公式。 - The Quantitative Relationship between Multiple Bond Distances and Bond Order Electronegative Difference
多重键的键长与键级和电负性差的定量关系 - The results show: their bond order of Al and covalent bond order of Al-O bond are alike;
研究结果表明：两者结构中Al的键级和Al&O键共价键级大致相同。 - So it has a parallel relationship between the experimental impact sensitivity and the bond order of O-H bond.
因而，实验撞击感度与O-H键的键级之间存在平行一致的递变关系。 - 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。 - Nano-particles of SiO2 form the hydrogen bond with carbonyl of PI, which changes the geometrical and electronic structure of PI, but the bond order changes a little.
SiO2纳米颗粒与PI上的羰基形成氢键，使得PI的几何结构和电子结构发生了变化，但键级基本没有变化。 - Thermolytic mechanism is thus put forward through the analysis of the results of the experiment and calculation such as bond order, localized molecular orbital energy and the variations between total energy and bond distance RC-C, RC-C, RC-O.
通过对计算结果如键级、定域轨道能以及总能量与键长RC－C、RC－C、RC－O变化关系的分析，提出了亮氨酸热分解反应的机理。 - A Discussion on Calculating Method of Molecular Bond Order
关于分子键级计算方法的讨论 - Density of states of Li iron tend to decrease in doping system, so the bond order of Li-ion and O-ion reduce with bond length increasing. Weakened interaction between Li and O result in the improvement of electrical conductivity performance.
掺杂体系Li的态密度强度下降，Li离子和O离子的键序减小，键长增大，说明掺杂体系中Li和O相互作用减弱，体系导电性能提高。