联系实验事实和有机电子结构理论对计算结果进行了讨论。
The calculated results were discussed relating to experiments and organic electronic structure theory.
利用近代界面及表面电子结构理论(改进的TFD理论)和现代先进分析测试技术对冷压焊结合的微观机理进行了分析。
Taking advantage of advanced SEM and TEM technology and modern TFD theory, explanation to microscope bonding mechanism of cold pressure welding was made.
假设电子需要有一定能量才能环绕核子轨道的原子结构理论。
A theory of atomic structure that assumes an electron orbiting a nucleus can only be at certain energy levels.
基于传统单电子理论，阐述了单电子晶体管的结构、原理、特点及应用。
The structures, principles, characters and applications of single electron transistors are clarified, based on the traditional theories.
CDG是在密度的地里工作的英国学者的一个小组功能的理论和电子结构计算。
The CDG is a small group of UK academics working in the field of density functional theory and electronic structure calculations.
该分子材料具有较强的非线性光学性质，其分子的电子结构和电偶极矩是在密度泛函理论水平上利用从头计算方法得到的。
This kind of molecular material has strong nonlinear optical properties, and its electronic structures and dipole moments are calculated by use of density functional theory on ab initio level.
使用基于密度泛函理论的第一原理平面波赝势法，研究了W原子链的结构稳定性和电子结构性质。
The structural stabilities and electronic structures of W atomic chains are studied by employing first-principles plane wave pseudopotential method based on the density functional theory.
通常情况下，线性缩放密度泛函理论的应用还是很少的，而密度泛函理论只能计算成百、成千的原子电子结构。
In general though, linear scaling DFT is still quite rare and DFT calculations on a routine basis typically involve a few hundreds or thousands of atoms.
利用负本征值理论的态密度计算方法，研究了准一维双链无序系统的电子结构。
The electronic structure of quasi one dimensional disordered system is studied by the computation of the density of electronic states with the help of the negative eigenvalue theory.
原子和核结构的少体理论方法改进后用以研究磁场下包含三个电子的二维量子点的电子性质。
The few-body theory has been extended to study the electronic properties of the quantum dots subjected to a magnetic field, which contains three electrons.
对稀有气体化合物的分子结构分别用“价层电子对互斥理论”、“价键理论”和“分子轨道理论”进行了分析处理。
This paper analyzes shell electron pair repulsion theory , valence-bond theory and molecular orbital theory on molecular structure of noble gas compounds.
安德森在1932年发现正电子时，在理论物理结构中已经准备好虚位等待正电子。
A slot in the structure of theoretical physics was ready and waiting for the position when Anderson discovered it in 1932.
随着电子计算机技术的飞速发展，密度泛涵理论(DFT)方法在研究分子的结构与性能方面的应用日益广泛。
With the rapid development of computer technology, Density Functional Theory (DFT) is widely used to research the molecule's structure and properties day by day.
普通物理学、理论物理、信息光学、结构与物性、材料物理、固体物理学、电子线路等课程；
General Physics, Theoretical Physics, Information Optics, Structure and Properties of Materials, Materials Physics, Solid-State Physics, Electronic Circuit and other courses;
所以，无论从理论研究还是实际应用来看，从根本上认识其表面和界面的电子结构和光电行为是非常必要的。
It's necessary to study the electronic construction and photoelectric behavior of surface and interface of GaN film for the theory and application research.
应用梁的理论，对电子皮带秤的各种秤架结构进行了静力分析，指出了各种秤架结构的优点和不足。
With theory of beam, this paper has analyzed the weighing principle and the structure of current electronic belt weighing conveyor, and pointed out the advantage and disadvantage.
将微电子测试结构与质量管理理论结合起来，运用于半导体技术，取得了初步结果。
And initial results have been obtained in the field of the application of combining microelectronic test structure with quality control theory to semiconductor technology.
首先，提供了生物系统中电子转移的机制、理论和结构，然后分析了氧化还原蛋白器件设计的策略及结构。
First, the mechanisms, theory, and structures for electron transfer in biological systems are provided, followed by analysis of the strategies and structures engineered in redox-protein devices.
本文用经验电子理论对铬铁体心立方结构无序固溶体进行了分析。
The results of the empirical electron theory of Fe-Cr bcc disordered solid solutions are reported.
结合俄歇电子能谱和红外光谱分析膜的微观结构，对薄膜的电子注入特性进行了理论分析与讨论。
The characteristics of the electron_injected film were analyzed and discussed, in terms of the microstructure analyses in the film with the Auger electron spectroscopy and the infrared spectrum.
车载导航系统是本设计的重要功能组成部分，本文深入讨论了车载定位导航技术的理论基础：全球定位系统GPS与地理信息系统GIS，以及电子地图的表达方式和数据结构。
The automobile navigation system is an important part in this design. This paper investigates GPS location, GIS navigation and description methods and data structure of navigation electronic map.
提出了利用灰色系统的相关理论来评估电子战装备的作战效能，建立了基于层次结构的灰色评估指标体系，介绍了灰色评估模型和评估算法。
A grey evaluation system and model, based on the hierarchy structure for evaluating the combat effectiveness of EW equipment, are proposed and the evaluation algorithm is introduced.
利用固体与分子经验电子理论对常用低合金耐热钢的价电子结构进行了计算。
The valence electron structure parameters of low alloy heat-resistant steel in common use were analyzed on the basis of the empirical electronic theory (EET) of solids and molecules.
采用PM3和INDO/CI理论方法，系统研究了对称取代反式二苯乙烯衍生物的结构和电子光谱。
The geometry, electronic structures and electronic spectra of trans stilbene derivatives are systematically studied by PM3 and INDO/CI methods.
运用负本征值理论，探讨了非对角无序、维数效应对低维无序系统电子结构的影响，研究表明，非对角无序和维数效应对低维无序系统电子结构的影响很大。
Based on the negative eigenvalue theory we discuss the non-diagonal disorder and dimensional effects for the electronic structure in low-dimensional disordered systems.
利用余瑞璜的“固体与分子经验电子理论”从决定合金元素行为的聚合态原子价电子结构出发，研究了奥氏体不锈钢中氮合金化的作用机制。
Based on Yu's "Empirical electron theory of solids and molecules", the mechanism of nitrogen alloying in austenitic stainless steel was investigated.
本文介绍了余氏理论的基本思想及其在固态和液态合金研究中的应用，运用余氏理论这一新的理论工具，可以使对合金熔体的研究深入到电子结构层次。
The EET and its application in the study on solid and liquid metal were described in this article. EET could be used to study the alloy melt further to the electron microstructure level.
本文应用经验电子理论对一些具有A＿2，B＿2型结构的电子化合物进行了价电子结构分析及相变点计算。
The valence electron structures of some interphases with, A_2 and B_2 structureswere analyzed and their transformation points are calculated by Yu's EmpiricaI Electron The-ory.
本文应用经验电子理论对一些具有A＿2，B＿2型结构的电子化合物进行了价电子结构分析及相变点计算。
The valence electron structures of some interphases with, A_2 and B_2 structureswere analyzed and their transformation points are calculated by Yu's EmpiricaI Electron The-ory.
应用推荐