If it could only ditch this electron, it could have the same electronic structure as neon.
如果它能失去这个电子，它就能拥有和氖一模一样的电子结构。
In this thesis, we attempt a new method, the statistical supercell method, to calculate the electronic structure of a mixed crystal.
在本论文中，我们尝试用一种全新的计算方法——统计超原胞法来计算混晶的电子结构。
This experimental finding is in good agreement with the result of calculation of electronic structure. The evidence strongly supports the model of quantum confinement effect.
这一发现恰与理论计算结果一致，从实验上支持了多孔硅的量子限域模型。
The electronic structure of molecules will be developed.
进一步研究分子的电子结构。
The electronic structure and bonding of various phosphorus compounds.
各类有机磷化合物的电子结构与成键。
The electronic structure and chemical bonding of Sm(Ind)3 have been studied by INDO calculation.
采用INDO方法研究了三茚基钐的电子结构和化学键。
It is the electronic structure of molecule and the interaction between molecule and metal surface.
一是分子的电子结构，二是分子和金属表面的相互作用。
Aim to study the relationship between toxicity and electronic structure of some Ericaceous toxins.
目的：研究某些杜鹃花科植物毒素的毒性与电子结构之间的关系。
The calculated results were discussed relating to experiments and organic electronic structure theory.
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 electronic structure of a quaternary alloy has been investigated using EHT band calculation method.
用EHT紧束缚能带计算方法，研究了四元合金的电子结构。
The electronic structure of a quaternary alloy has been investigated using EHT band calculation method.
用紧束缚能带计算方法(EHT)研究了标题多元合金的能带及电子结构。
The electronic structure of the most stable configuration of the B2C3 cluster was analyzed and discussed in detail.
对B_2C_3最稳定构型的电子结构进行了深入的分析和讨论。
The results show the relationship between 2-D Doppler broadening spectra and electronic structure of these elements.
这些结果展示了一些金属单质材料的双多普勒展宽谱随着电子结构变化而发生的变化。
Syntheses of polysilane and its electronic structure, molecular structure, microstructure and aggregation structure are reviewed.
综述介绍聚硅烷的合成方法及其电子结构、分子结构、微观结构和聚集态结构等。
The material of magnetic ferrite has been widely applied in many fields because of its exceptive magnetism and electronic structure.
铁氧体磁性材料，由于它具有特殊的磁性和电子结构，被广泛应用于许多领域。
The electronic structure of the series are calculated by INDO and the nature of high energy P—O bond in biological chemistry is discussed.
采用量子化学INDO方法计算了系列物的电子结构，依据计算结果讨论了生物化学中高能磷酸键的本质。
The concept of electronic density of states in Solid state Physics has been extended to study of electronic structure of molecular crystal.
本文把固体物理学中的电子态密度概念推广到分子晶体的电子结构研究。
The variation of electronic structure leads to the increase of single bond radius and atomic volume and other changes of physical properties.
电子结构的转变是导致原子单键半径增大和体积增加及其他物理性质发生改变的根本原因。
It is found that the modification of palladium not only modulates the electronic structure of ZnO but also affects the amount of surface hydroxyl.
同时，还发现用钯修饰氧化锌不仅可以调节其能带结构，而且还影响了氧化锌上表面羟基的含量。
The design of the whole experimental system has been completed, including system optical structure, electronic structure and signal processing, etc.
本论文完成了整个实验系统的设计，包括光路结构、电路结构、信号处理等各方面。
The transmission coefficient in the current formula is relevant to the electronic structure of molecule and the interaction between the molecule and the metal.
电流公式中的透射系数是和分子的电子结构以及分子与金属的相互作用能有关的。
This paper discusses the quantum chemistry ab initio calculation method and some semi-empirical calculation methods frequently used on the electronic structure.
对电子结构计算中常用的量子化学从头算方法及几种量子化学半经验计算方法进行了讨论。
The relations between electronic structure and stability of the hydride, thermodynamic investigation and electrode reaction mechanism were summarized in detail.
内容主要涉及贮氢合金的电子结构与氢化物稳定性之间的关系，合金材料的热力学研究，合金电极反应等方面。
Research on the electronic structure and flotation properties of flotation reagents, is important to find and synthesis a new high efficiency flotation reagent.
浮选药剂的结构与浮选性能的关系研究，对于寻找和指导合成新的高效浮选药剂具有重要意义。
This paper describes the electronic structure of which automatic frequency-tracking has been implemented with help of IC model CD4046 and its operating principle.
本文叙述了用CD 4046锁相环实现频率自动跟踪的电路结构和工作原理。
Two different symmetric configurations in the electronic structure of propadiene molecule are calculated by adopting PSHONDO SCF full electronic ab initio calculation.
采用PSHONDO- SCF全电子从头计算程序，对丙二烯分子的两种不同对称性构型的电子结构进行计算。
The discrete variational method (DVM) and cluster model are used to study the electronic structure and atomic configuration of the hydrogen-vacancy complex in aluminum.
本文利用离散变分法（DVM）和集团模型研究了铝中氢—空位复合体的电子结构和几何构型。
Based on the negative eigenvalue theory we discuss the non-diagonal disorder and dimensional effects for the electronic structure in low-dimensional disordered systems.
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。
It was found that there are remarkable correlation relationships between some indices of electronic structure and the toxicity by the studies of structure-activity relationship.
通过构效关系研究，发现某些电子结构指数与毒性之间存在较好的相关关系。
The electronic structure, UV-visible spectrum, nonlinear third-order optical susceptibility and its dispersion of zinc phthalocyanine(ZnPc)were studied by using INDO/SDCI method.
用INDO／SDCI方法研究了酞菁锌的电子结构、紫外-可见光谱、三阶非线性光学系数及其色散效应。
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