所有非氢原子间的键长和键角均在实验误差范围内接近理论值。
All of bond lengths and angles are with in the range of normally accepted values.
在特定相位条件下，由此计算出的键长和离解能与实际值相吻合。
Under the condition of phase difference given, the bond-length and dissociation energy calculated are quite consistent with the experimental values.
研究人员使用拉曼光谱可以观察到键的震动能量的变化然后计算出键长的变化。
Researchers were able to use Raman spectroscopy to look at the change of the vibrational energy of the bond and then work out the change in bond length.
另外一点就是键长，我们对键的长度也感兴趣，也就是两个原子核之间的距离。
And we can also talk about the bond length, so we might be interested in what the bond length is, what the distance between these two nuclei are.
因此如果我们看它的键长的话，它实际上比单键更短，却比双键更长。
So if we look at its length, it's actually shorter than a single bond, but longer than a double bond.
用该式计算了一些常见卤化物分子的键长，结果与实验数据颇为一致。
The bond lengths of some common haloid molecules are calculated with the equation. The calculated results are in agreement with the experimental data.
本文利用聚甲醛链的键长涨落模型，研究了聚甲醛单链的玻璃化转变。
In this article, the glass transition temperature of a single polyoxymethylene (POM) chain adopting the modified bond fluctuation model was studied.
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。
On the basis of quantum chemical calculation, the bond order, length and other structure parameters are further analyzed.
由此计算出来的共价单键、双键和叁键之间的键长关系基本符合共键长间的经验关系。
The relations of the covalent bond lengths calculated by the model agree with the empirical ones.
氮原子孤对电子与氮氮键以及氮氮键相互之间的超共轭作用是影响氮氮键长的重要因素。
The hyperconjugation between lone-pair of nitrogen atoms and nitrogen-nitrogen bonds, or among nitrogen-nitrogen bonds play a significant role on the nitrogen-nitrogen bond length.
从结合能、C O键长、轨道布居、态密度等方面比较了C与金属成键强度及CO分子被活化程度。
The chemisorption properties, including the length of CO bond, orbital population and density of states, are computed and analyzed respectively.
与中性态相比，带电态下其分子结构表现在C - C键的键长及环与环间的扭转角发生显著的改变。
Comaring with the neutral states, the bond lengths and the inter ring twist angles of the charged states are changed obviously.
根据镧系元素络合物的晶体结构数据确定了单价键长R0的镧系收缩效应，并对已有的键价参数进行了系统的修订。
Based on the crystal structure data of the lanthanide complexes, lanthanide contraction of the single valance bond length R0 for Ln-O bond is confirmed.
因此，当我们考虑一个键的长度的时候，这就应该是我们的键长，这是合理的，因为体系会在核间距达到这一距离时，能量到达最小值。
So, when we think about a bond length, this is going to be the length of our bond here, that makes sense because it's going to want to be at that distance that minimizes the energy.
对于初始晶格位形为键长有规律交错变化的一维晶格，闭链的收敛精度远高于开链的收敛精度，表明有机物链越长收敛越慢。
It is found that if the initial 1d crystal lattice has a regularly zigzagged change in bond length, the convergence precision is much greater for a closed chain than for an open chain.
我们在形成一个分子时要做的就是，把这两个轨道放到一起，这样我们有他们的原子核，两个原子核，它们之间的距离为键长。
What we're going to do in forming a molecule is just bring these two orbitals close together such that now we have their nucleus, the two nuclei, at a distance apart that's equal to the bond length.
参与新键形成和旧键断裂原子C（1），H（11），O（28），O（29）和N（27）的原子自然电荷及与其相关的键长、键角有明显的变化。
Obvious changes of atomic natural charge happened to atoms C(1), H(11), O(28), O(29) and N(27). The bond lengths and bond angles related to these atoms were also varied greatly.
利用键参数函数和尺寸因数对第四长周期过渡族金属元素基准晶形成规律进行研究。
Bond-parametric function and size-factor are used to study the formation law of alloy quasicrystals based on the fourth long period transition metals.
三种元素的六员环短-长键交替结构都是各自环簇中最稳定的结构。
The six-membered ring of each kind of metals is the most stable.
所有袋鼠，不管体积多大，有一个共同点：长着长脚的后腿强键而有力。
All kangaroos, no matter how much size, have one thing in common: with long hind legs strong and powerful bond.
所有袋鼠，不管体积多大，有一个共同点：长着长脚的后腿强键而有力。
All kangaroos, no matter how much size, have one thing in common: with long hind legs strong and powerful bond.
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