The geometric structure and stability of(GaP)_n,(GaP)_n~+ and(GaP)_n~-(n=1～6) Clusters;
(GaP)_n,(GaP)_n~+和(GaP)_n~-(n=1~6)团簇的几何结构与稳定性(英文)
The geometric structure and stability of B_mP_n and B_mP_n~-(m+n≤5) clusters;
B_mP_n和B_mP_n~-(m+n≤5)团簇的几何结构与稳定性
The geometric structure of carbon nanotubes (CNTs) is introduced,the symmetry of zigzag and armchair CNTs is analyzed and these symmetry elements are abstracted and summarized.
在讨论了碳纳米管的几何结构的基础上 ,对齿型和椅型碳纳米管的对称性进行了分析并将这些对称元进行了抽象和总结 。
In this paper,choosing as the studied object,and using Hartree-Fock Theory and Density Founctional Theory,we optimized the geometry structure of the molecule and calculated the electronic structure of it.
选择C12H10分子作为研究对象,分别利用HF和DFT这两种方法进行了分子几何结构的优化和电子结构的计算。
The basic geometry structure,the vibration spectra and molecular orbital density of the C20 fullerene molecule have been studied.
在B3LYP/6-31G*基组下完成了在C1群对称性下C20分子的几何结构优化,并通过计算得出了C20分子的能态、轨道密度和基振光谱。
The geometry and properties of three isomers of azobispyridine;
偶氮联吡啶三种异构体的几何结构及性质
The geometry of LaNi_5 was optimized and the parameters and properties of the structure were given.
根据密度泛函理论,采用总体能量计算方法,以扩展平面波函数为基集,并结合超软赝势技术,对LaNi5的不同Ni位分别被Co取代后的晶体几何结构进行了优化,从理论上给出了其结构参数及性质。
In this paper, the geometry, stability, binding energy and energy level distribution of small clusters of Ru2～8 are investigated by Density Functional Theory (DFT).
采用密度泛函理论中的广义梯度近似(DFT/GGA)方法,对Run团簇(n = 2~8)的几何结构与稳定性、束缚能以及能级分布的关系进行了研究,并分析了随着团簇原子数的增加,团簇的几何结构和费米能级的变化,结果表明:Ru簇的几何结构在4个原子以前是平面结构,而从5个原子开始为空间立体的稳定结构,束缚能随金属原子数的增加而增加。
The Geometries、Electronic of Nickel Clusters and Influence of Its Complexes at Nickel Clusters;
镍团簇的几何结构、电子结构及其结合物的影响
Research on the Equilibrium Geometric Structure and Electronic Structure in the Interface of Metal Iron and the Solution
金属Fe/水溶液界面几何结构与电子结构研究
Geometry Structures of Shorted Operators and Its Applications;
Shorted算子的几何结构及其应用
Characteristics of the surface geometry structure about semiconductor lead salt PbS(001) surface;
铅盐PbS(001)表面几何结构特性
Geometry and electronic properties of B_n(n=2-15) clusters
B_n(n=2—15)团簇的几何结构和电子性质
Geometrical and Electronic Structures of Ga_nP(n=1～7) Clusters
Ga_nP(n=1-7)团簇的几何结构和电子性质
The Relationship between R Index and Daugavet Property
R指数与Banach空间几何结构的关系
The Geometrical Structure of Properly Posed Set of Nodes for Graded Interpolation which in the Multiple Space
多元空间分次插值适定结点组的几何结构
Algebraic Struclure and Foundation of Geometry Ⅱ-The Affine Geometry and Euclidean Geometry on a field
代数结构与几何基础Ⅱ──域上的仿射几何和欧氏几何
Geometric Formation and Mechanical Analyse of Space Deployable Structcures;
空间可展结构的几何构成及力学分析
Incremental Theory for Geometric Nonlinear Analysis of Cable Network Structures
索网结构几何非线性分析的增量理论
An Industrially Efficient Method for Measuring Precisely 3D Microstructure of MEMS
微机械三维结构几何尺寸的图像测量
QR-Method for Geometrically Non-Linear Dynamic Analysis of Network Shell Structure;
网壳结构几何非线性动力分析QR法
Innovation in Teaching of "The Forming and Analysis On Plane Structural Geometry";
“平面结构几何组成分析”的创新教育
The Optimal Design of the Top Structure of Transmission Tower
输电铁塔上部结构几何参数优化设计
The effects of geometrical imperfections on dynamic stability of arch structures
几何缺陷对拱结构动力稳定性的影响
Accurate Algorithm for Geometrically Large Deflection Analysis of Truss Structures
桁架结构几何大变形分析的精确方法
Study on the Topology and Mechanical Behaviors of Grid Shells;
索撑网壳结构的几何构成与静力性能研究