查询词典 atom structure

Qi Y Y.Preserving-structure computation for the model atom in the strong laser field.

强激光场中模型原子的保结构计算。

Usually the model is given by the foregone atomic structure or crystallattice, however it can not make sure that every atom in the model is in equilibrium state.

纳米尺度下材料模型的建立一般是根据已知材料的原子排列或晶格结构直接给定，这并不能保证模型中所有粒子处于平衡状态。

In this paper we have calculated the surface energy of various crystalline planes as film surface for ten face-centered cubic metals, ten body-centered cubic metals and three diamond-structure crystals with Modified Embedded Atom Method.

本文应用改进嵌入原子法分别计算了十种面心立方金属、十种体心立方金属以及三种金刚石结构晶体的不同指数晶面作为表面时的表面能。

The system consists of cavity coupled ECR microwave plasma source, vacuum system, gas distributing system,d etecting and analysis system and computerized data collecting and controlling system and is provided with a RHEED with differential pumping structure for in-situ real-time monitoring in atom size.

一种宽运行气压范围无离子损伤的ECR微波等离子体增强低温外延系统与技术，系统由腔耦合型ECR微波等离子体源、真空系统、配气系统、检测与分析及计算机数据采集与控制系统组成；配置有带差分抽气结构的RHEED，可实现原子尺度控制生长的原位实时监测。

In this paper we have characterized the structure of various twist interfaces which are composed of (001 ),(011),(111 )-oriented semi-infinite crystals of four face-centered cubic metals Ag, Au, Al, Cu and (001),-oriented semi-infinite crystals of Si respectively with the coincidence site lattice, and calculated their energy with Modified Embedded Atom Method.

本文采用重合位置点阵的方法表征了Ag、Au、Al和Cu四种面心立方金属的(001)、(011)和(111)取向的半无穷大晶体分别与Si的(001)和(111)取向的半无穷大晶体构成的扭转界面的结构，并应用改进嵌入原子法计算了它们的能量。

The present invention discloses the structure and application of one new kind of sulphurous heterocyclic naphthyl imides. The said compounds feature that the naphthyl imide has conjugated plane enlarged via the added five- or six-element aromatic heterocycle and introdued sulphurous heterocyclic atom.

本发明公开一类新的含硫杂环并萘酰亚胺化合物的结构及其用途，本发明所说的化合物的特征是萘酰亚胺的共轭平面通过并入的五元芳杂环得以扩大，并引入含硫杂原子。

Macrocycle with two aryl oxdiazolesThe structure of this type of macrocyclic compounds with two aryloxdiazoles attached to the nitrogen atom of amino acids is different fromthat of the above compounds.

三。含双噁二唑的大环：在这类分子中两个芳基噁二唑通过氨基酸的氮原子连接成环，而将手性中心和羧基端放于环外，这可提高分子的络合性能。

In a word, a new method that theoretically calculates the relativistic corrections and the fine structure of the energy levels in two-electron atom, including the atomic Hamiltonian expressed by spherical tensors, the calculation of the angular matrix elements and the summations over spin of the various interactions in the atomic Hamiltonian, and the approximate calculation of the radial matrix elements, has been provided in this thesis.

总之，本文为双电子原子能级的相对论修正和精细结构的理论计算提供了一种新的方法，包括原子哈密顿算符的球张量表示方法、原子哈密顿中各种相互作用项的角向矩阵元和自旋求和的计算方法，以及径向矩阵元的近似计算方法。

Ni6 cluster is an octahedron belonging to Oh point group. Its 3Eg orbital presents strong negative exchange coupling and has a trend of antiferromagnetic couplings. Ni5 cluster is of three-side pyramidal structure belonging to point group C3v. The magnetic moment direction of Ni atom lying on vertex of the pyramid is antiparallel to the moment direction of the Ni atoms lying on underside of the pyramid, which present the characteristic of ferrimagnetic couplings.

具有Oh点群对称的八面体原子簇Ni6的3Eg轨道上存在很强的负交换耦合，呈现反铁磁耦合趋势；具有C3v点群对称的三边金字塔结构的原子簇Ni5位于塔顶点的Ni原子与基面上的Ni原子磁矩方向相反，但大小不等，呈现出亚铁磁交换耦合特征。

Each type of atom or molecule has its own structure and therefore will interact with photons in its own way .

每种原子和分子都有它自己的结构，因而也就按其自己的方式同光子相互作用。

Breath, muscle contraction of the buttocks; arch body, as far as possible to hold his head, right leg straight towards the ceiling (peg-leg knee in order to avoid muscle tension).

呼气，收缩臀部肌肉；拱起身体，尽量抬起头来，右腿伸直朝向天花板（膝微屈，以避免肌肉紧张）。

The cost of moving grain food products was unchanged from May, but year over year are up 8%.

粮食产品的运输费用与5月份相比没有变化，但却比去年同期高8％。