四面体

The study of structure shows that the noncrystalline network is composed of [PO_4] tetrahedron and [VO_5] trigoral bipyramid.

结构研究表明[PO_4]四面体及[VO_5]三角双锥体共同构成非晶态的网络骨架。

In the 2A1 distorted trigonal bipyramid structure ,the single non equivalent Ga atom has the population of 4s 4p ,while the two equivalent Ga atoms have the population of 4s 4p .this compares with a Ga population of 4s 4p in the undistorted D3h structure ,hence the jahn-teller distortion causes depletion of the charge density on the 4s orbital of the non-equivalent Ga atom, and enhancement of charge density on the 4s orbital for the two equivalent atoms .an opposite trend is observed for the 4p orbitals of these Ga atoms .the P population for the two equivalent atoms is 3s 3p .the populations of the other 2B1 state with the edge-capped tetrahedral structure are similar with the exception that all three Ga atoms have similar but not identical populations .

在2A1被变形的三角bipyramid结构，唯一非等效Ga原子有4s 4p的人口，而二个等效Ga原子在未变形的D3h结构有4s 4p 。this的人口和4s相比4p的Ga人口，因此jahn出纳畸变在non-equivalent Ga原子的4s轨道导致电荷密度的取尽，并且电荷密度的改进在4s轨道为二个等效原子。an在趋向对面对这些Ga原子4p轨道被观察。the人口为二个等效原子是另一个2B1状态3s 3p 。the人口与边缘加盖的四面体结构是相似的P 除之外全部三个Ga原子有相似，但不相同人口。

Nearly-degenerate A1 and B1(C2y) electronic states are found with distorted trigonal bipyramid and edge-capped tetrahedral geometries together with a E'(D3h) state for Ga3P2.while a distorted structure with 2B1 symmetry and a 2a2 undistorted D3h structure are found to be nearly-degenerate for Ga2P3 .we employ the complete active space multi-configuration self-consistent field followed by multi-reference singles + doubles configuration interaction computations that included up to 2.5 million configurations.

近退化A1和B1 (C2y)电子状态找到与被变形的三角bipyramid，并且边缘加盖的四面体geometries与一个E' (D3h)状态一起为Ga3P2.while一个被变形的结构与2B1对称和2a 2未变形的D3h结构被发现近退化的为Ga2P3 。we使用自洽场被多参考跟随选拔+双配置互作用的完全活跃空间多配置计算包括2.5百万种配置。

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。

The crystal structures have been determined by single-crystal X-ray diffraction.Cadmium atoms in compounds 1 and 2 show an eight-coordinated distorted square-antiprismatic geometry and a seven-coordinated distorted pentagonal bipyramidal geometryrespectively. Copper atoms in compounds 3 and 4 show a six-coordinated distorted threeprismatic geometry and a four-coordinated distorted tetrahedral geometry respectively.

所有配合物的晶体结构都通过单晶X-射线衍射确定：配合物1中的镉离子周围显示八配位的扭曲四方反棱柱构型；而配合物2中的镉离子周围显示七配位的扭曲五角双锥构型；配合物3中的铜离子周围显示六配位的扭曲三棱柱构型；配合物4中的铜离子周围显示四配位的扭曲四面体构型；配合物5中的锌离子周围显示六配位的扭曲八面体构型。

Linked quadrilateral pyramid and hexangular pyramid as a precursor nucleus,two new microcrystals of silver bromoiodide were prepared.

本文研究了用连体四角锥碘化银为晶核制备类似于四面体碘溴化银微晶和用六方角锥碘化银为晶核制备片状碘溴化银微晶的方法，并对两种不同微晶的结构，形态和性能进行了比较和分

This did not go through four sides intermediatesby dehydrating between carboxylic and alcohol.

而不是经历了通常的羧酸与醇直接脱水形成酯的四面体中间物的过程。

The structure consists ofpolyborate groups 〓 and four crystallographically independent Y positions, ofwhich two positions are on inversion center and the other two are on general positions.

中的硼酸根离子为三个四面体构成的〓基团，结构中存在有四种不同的Y原子格位，其中两种Y格位具有中心对称，另外两种Y格位没有对称中心。

EPR study of the thermal products of these montmorillonites shows that g = 2. 14 signal relates with hydrated copper ions existing in the interlayer of montmorillonites and g = 2. 07 signal relates with Cu~(2+) occupying the ditrigonal cavities of Si-O sheet. And, the supper fine line of g ca. 2. 2 - 2. 7 suggests Cu~(2+) migrating into octahedral vaeancies.

同时，该蒙脱石热处理产物的EPR研究表明、g=2.14信号与蒙脱石层间的水合铜离子相关， g=2.07信号和g为约2.7-2.2超精细结构线分别与进入了粘土矿物Si-O四面体片复三方形孔洞和铝氧八面体空位中的Cu相关。

EPR study of the thermal products of these montmorillonites shows that g=2.14 signal relates with hydrated copper ions eXisting in the interlayer of montmorillonites and g=2.07 signal relates With Cu,occupying the ditrigonal cav- ities of Si-O sheet.And,the supper fine line of g ca.2.2-2.7 suggestrs CU migrating into octahedral vacancies.

同时，该蒙脱石热处理产物的EPR研究表明、g=2.14信号与蒙脱石层间的水合铜离子相关， g=2.07信号和g为约2.7-2.2超精细结构线分别与进入了粘土矿物Si-O四面体片复三方形孔洞和铝氧八面体空位中的Cu相关。

Neither the killing of Mr Zarqawi nor any breakthrough on the political front will stop the insurgency and the fratricidal murders in their tracks.

在对危险的南部地区访问时，他斥责什叶派民兵领导人对中央集权的挑衅行为。

In fact,I've got him on the satellite mobile right now.

实际上 我们已接通卫星可视电话了