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The following is Ti-He which value is -6480.3 876eV. Ti-He(o2) had the more stable structure of four systems of Ti-He. The variety of volume before and after Geometry optimization proves this result. The population analysis also proves the interaction between helium atom and Ti was electrovalent bond.

利用Dmol3对钒、钛八面体和四面体团簇计算的结果表明,氦原子在金属钒四面体间隙的嵌入能比八面体间隙低,嵌入能为5eV;氦原子在金属钛八面体间隙的嵌入能比四面体间隙低,嵌入能为0.2eV。

This paper analyzes the cause of distortion of octahedron complexes and tetrahedron complexes and states the general methods to judge the distortion .

分析了八面体配合物和四面体配合物畸变的原因,给出了判断八面体配合物和四面体配合物畸变的一般方法:配合物是否发生畸变要看中心离子电子云是否对称分布,若对称分布,就具有规则的八面体或四面体构型,否则,将会发生变形。

ITQ-26 (INSTITUTO DE TECNOLOGIA QUIMICA number 26) is a new crystalline microporous material with a framework of tetrahedral atoms connected by atoms capable of bridging the tetrahedral atoms, the tetrahedral atom framework being defined by the interconnections between the tetrahedrally coordinated atoms in its framework.

ITQ-26(INSTITUTO DE TECNOLOGA QUMICA number 26)是新的结晶微孔材料,其具有通过能够桥联四面体原子的原子连接的四面体原子骨架,该四面体原子骨架通过其骨架中四面体配位原子之间的相互连接来界定。

ITQ-27 (INSTITUTO DE TECNOLOGíA QUíMICA number 27) is a new crystalline microporous material with a framework of tetrahedral atoms connected by atoms capable of bridging the tetrahedral atoms, the tetrahedral atom framework being defined by the interconnections between the tetrahedrally coordinated atoms in its framework.

ITQ-27(INSTITUTO DE TECNOLOGíA QUíMICA number27)是新型微孔晶体材料,其具有通过能够桥联四面体原子的原子连接的四面体原子骨架,该四面体原子骨架通过其骨架中的四面体配位原子之间的相互连接而确定。

Another situation is in order to reduce material costs and adopt only 330-molecular-weight natural Rosin, in order to achieve-and-ink system stability, in recent years, we have dozens of chemical properties caused by not changing inorganic materials, use of the tetrahedroid of hydrated silicon dioxide as a porous form of assiociation matozoa, a steady and adsorbed on low molecular weight of rosin Sol heterogoneous on the surface, forming a layer, the Pro-numberrepresentationof goes with liquid water, addresses the thixoforming improve its water washable, and has a certain thickness, especially when more than 5 per cent, packaging business card printing and membership card by making the formation of a layer of short thick membrane of lowmolecular of monlchamus, in which case it reduce-and-Ink viscosity, increase the concentration would affect the business card printing and membership card to make the mobility of transfer affects gloss, the reason is that in the process of associating exothermic rise ink system temperature diminishes the Rosin molicule assiociation.

另一栽境况是:为了贬矮质料不败本,合座拔取仅有330不合子量的人造松香,为到达火不朱编制不时间的安定性,近年来,我们在数不一栽不引起冻学本质保持的不不不不无机质料洋,诳骗四面体的火合二氧冻硅的多孔形式作为缔合胶体,使之能安定不天吸附在矮不合子量的松香溶胶粒子的暗不天上,形不败一层爱护膜,把干液性基团伸向火洋,既可打消触变又能提矮其火可洗性,并具有必定的厚量,格边是当超功5%之后,包装制卡和会员卡制作的不朱膜形不败了一层长稠厚的矮不合子不朱膜,这时则更会贬矮火不朱粘量,如果补充了浓量,则既会感冻制卡和会员卡制作迁徙的流动性,又会感冻平泽的提矮,来因是:在缔合放热的历程洋升矮了油不朱编制温量而放松了松香不合子的缔合方向。

The connecting of neighbour tetrahedran with common vertex angle forms M—O layer,and the connection of neighbour octahedran with common edge ...

偏岭石结构中近邻四面体与四面体共顶连接构成M—O层,八面体与八面体共棱或共面连接构成Al—O层;而四面体与八面体通过不规则的共顶连接构成近程层状结构。

The connecting of neighbour tetrahedra n wit h common vertex angle forms M—O layer,and the connection of neighbour o ctahedran with common edge or plane forms Al—O layer.

偏岭石结构中近邻四面体与四面体共顶连接构成M—O层,八面体与八面体共棱或共面连接构成Al—O层;而四面体与八面体通过不规则的共顶连接构成近程层状结构。

In the 2a1 state of Ga3P2 ,the singly-occupied 5a1 orbital is made of Ga1....................on the other hand ,the 2b1 HOMO of the 2B1 state of the edge-capped tetrahedron consists of P1............................,where the P orbitals and Ga orbital make a significantly enhanced contribution .thus , while Ga orbitals make significant contributions to the 1A1 state with the distorted trigonal bipyramidal structure ,the P orbitals contribute significantly to the open shell MOs of the two structures.

另一方面在Ga3P2 2a1状态,被唯一占领的5a1轨道由Ga1做成。。。。。。。。。。。。。。。。。。。。,边缘加盖的四面体的2B1状态的2b1拉人包括P1 。。。。。。。。。。。。。。。。。。。。。。。。。。。。, P轨道和Ga轨道做显著改进的贡献。thus,而Ga轨道做对1A1状态的重大摊缴与被变形的三角bipyramidal结构的地方, P轨道对二个结构的开放壳MOs极大贡献。

Cutting process of soft tissue and organs is very important in virtual surgery simulation. Tetrahedron is widely used to construct the geometric model of virtual organs. Efficient methods must be developed to split or merge tetrahedrons in order to adapt to topology changes during cutting process. The main parts of this thesis are the two chapters on "Reconstruction of Tetrahedrons" and "Stability of Tetrahedrons".Main research work I have done is listed as follows:1 Reconstruction of Tetrahedrons.

人体软组织及器官的切割仿真是虚拟手术仿真的重要组成部分,软组织及器官的几何模型普遍采用四面体模型,切割的同时,软组织及器官的拓扑结构发生变化,模型中的部分四面体基元必须能够通过分裂或合并以适应上述变化,医学数据在三维场景中的交互和可视化是手术仿真的基本要求,因此,第二章&四面体重构&以及第三章&四面体单元稳定性&是本文重点讨论的两个部分。

The porous media model of software FLUENT was introduced to simulate the 2D flow through permeable tetrahedrons,and an experiment was conducted to verify the simulation;With the simulation,the influence of parameters such as Re、relative width b/B and relative length l/B on the protected length downstream of permeable tetrahedrons was studied.

本文首次尝试利用Fluent软件的介质模型对经过四面体透水框架群的水流进行了平面二维数值模拟,通过模型验证,多孔介质模型能较好地用于四面体透水框架群模拟;另外,通过数值计算,研究了Re、相对宽度b/B、相对长度l/B对四面体透水框架群下游保护长度的影响。

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