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- The geometry structures of undoped,charge doped,and heteroatom(B and P) doped oligosilanes(containing 21 Si atoms) are optimized using density functional theory(DFT) at the B3LYP/6-31G(d) level as implemented in GAUSSIAN 03 program. 本文利用GAUSSIAN 03程序包中的密度泛函理论;在B3LYP/6-31G(d)水平下;对聚21硅烷、电荷掺杂的聚21硅烷以及杂原子(硼和磷)掺杂的聚21硅烷进行几何全优化;并对它们的几何结构和自旋密度进行了比较性理论研究.
- Abstract: The geometry structures, net charge, frequency and combination energy of alkylamine chloride ionic liquids were calculated successfully by density function theory (DFT). 文章摘要: 采用密度泛函方法计算了氯化烷基季铵盐离子液体中阴阳离子的几何构型、净电荷、振动频率和结合能等。
- But it has some limitations of geometry structure, so scaling up the draft tube spouted bed is an urgent task. 但是导向管喷动床的几何结构也有一定的限制。
- The basic geometry structure, the vibration spectra and molecular orbital density of the C20 fullerene molecule have been studied. 利用密度泛函方法研究了富勒烯 分子的结构、光谱和分子轨道分布特性。
- To consider the geometry structure information of data set, new clustering validity functions are defined by modify possibilistic partition coefficient. 该文考虑到数据集的几何结构信息,对可能性划分系数进行改进,提出了新的聚类有效性标准。
- In this paper,an ant algorithm based on a geometry structure of TSP is presented to solve these shortcomings,constructing candidate list by quadrant neighbor list and initializing pheromone table by dual quadrant neighbor method. 本文提出了一种基于旅行商问题(TSP)几何结构的蚁群算法,利用象限邻居表构造候选集和对偶限象邻居的方法初始化信息素,用以克服上述缺陷。
- The preconditioner is generated from the target’s "geometry structure " and not from the "matrix element", which assured the computational complexity for generating the preconditioner is only O(N). 在构造预条件因子时,采用从目标的"几何结构剖分"出发,而不是从"矩阵元素"出发确定"基权函数之间的作用量关系",这样保证了构造预条件矩阵的计算复杂度仅为O(N)。
- Geometry structures can be inferred from symbol series by CSSR, which reflect 结构向量是系
- I feel that geometry is a difficult subject. 我认为几何是一门难学的课程。
- The students are learning solid geometry. 这些学生正在学习立体几何学。
- GEOMETRY STRUCTURE OF THE PROJECTIVE TRANSFORMATION IN THE LINE 直线上射影变换的几何结构
- Ant Colony Algorithm for TSP Based on Its Geometry Structure 基于几何结构的求解旅行商问题的蚁群算法
- A chair with side structures to support the arms or elbows. 扶手椅带有侧面结构用以支承胳膊或胳膊肘的椅子
- A handrail, along with all of its supporting structures. 栏杆,扶手与其所有的支持结构相连接的扶手
- This latter geometry he called astral geometry. 这后一种几何他称为星空几何。
- He is good at spherical geometry. 他对球面几何学很拿手。
- Pythagorean proposition is a geometry term. 勾股定理是一个 几何术语.
- The structures described below are idealized. 以下描述的结构是理想化的。
- He comprehends geometry and algebra. 他了解几何和代数。
- Riemannian Geometry and Geometric Analysis 3rd ed. 黎曼几何与几何分析第3版。