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原子间距

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The evaporation fields of metal atoms in the STM configuration have been calculated on the base of the binding energy of the atom on the tip, the total ionization energy of the atom, surface work function, the atomic radius and tip-sample distance.

本文的理论计算表明所需的外加电场强度决定于针尖原子的结合能,原子总的离化能,表面功函数,原子直径以及针尖和样品间距等。

In this research , a mathematic model is built for coverting internal coordinates into rectangular coordinates and calculating nucleus distances, bond angles and bihedral angles in a molecule.

本研究课题建立了将分子中原子的自然坐标变换成直角坐标,计算任意两个原子的间距,求解任意三个原子核连线的夹角和任意四个原子构成的二面角的数学模型。

On the other hand, the interatomic distance between Pb center and the nearest oxygen seems not comparable with each other.

另一方面,铅中心与最近邻氧的原子间距有较大的变化。

A model of linear strain relaxation is proposed to obtain the interatomic longitudinal spacings of the strained superlattice.

在线性驰豫应变假设下给出了应变超晶格纵向原子间距的几何模型。

Fig. 5 shows the change of interatomic distance of dangling bond after single vacancy structure is optimized in (9, 0) carbon nano-tube.

图5是在(9, 0)碳纳米管中单空位结构优化后悬挂键原子间距的变化情况。

The study of diatomic molecular potential energy function is the basic problem because diatomic potentials depend on only a single variable, the interatomic distance.

由于双原子分子的势能仅是原子核间距的函数,因此双原子分子势能函数是势能函数研究的基础问题。

In interfacial phase, the oxygenic chemical matching is insufficient, the average interatomic distance is larger and its distribution is broader.

纳米氧化物界面的无序性不同于纳米非晶,其氧化学配比不足,具有较大的键长和较宽的原子间距分布;界面中有着较大数量的空位团,随着等温生长的进行其浓度增大,进而抑制了晶粒的生长。

A series of excited state energies which corresponded to Cu-O four bonds structure of CuO〓 plane under the balance geometry structure were calculated.

通过理论计算可知几个Cu-O结构平衡几何构型下的Cu、O原子间距、Bi系高温超导体CuO〓面的结构参数,以及Cu在CuO〓面内的价态形式等。

The interlayer strain normal to the grain boundary oscillates with increasing distance from the boundary plane.

我们发现晶界法向原子层间距应变表现出衰减振荡的趋势,远离晶界的原子层间距逐渐趋向于体相的值。

In addition,most of theprevious studies are focused on a very narrowly-separated doublets(e.g.,hyperfinestructure,Stark or Zeeman splittings)in a closed system.In fact,the atomic ormolecular system,especially the excited one,is an open system,but there are only afew studies for it.

另外,以往研究的多能级系统中相邻两能级的间距都很小(通常为原子的超精细结构、斯塔克分裂或塞曼分裂),且大多数理论研究基本上都集中于封闭系统;然而,实际原子或分子特别是激发态的原子或分子体系通常为一开放系统,对于这方面的研究也很少。

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