原子结构

Based on the structural theory of general systems this paper sets forth a general mathematical model of material levels which include atoms molecules and molecular congeries .

微观还原论无法揭示物质涌现性的根源，以及物质结构与性质之间的相互关系，基于一般系统结构理论，建立了物质在原子，原子基团，分子和分子聚集体等层次上的统一的数学模型，即物质系统结构模型，通过对该模型的数学分析，研究了环境与物质结构，物质行为，物质状态之间的相互关系。

Additionally, there was new AES that may be a transition form of hybridism of carbon atom. It is concluded that carbon atom of graphite changes from sp^2 π to sp^3 through "metal catalyst layer", and deposits on the surface of diamond.

结果表明高温高压条件下石墨中碳原子经过"金属催化剂层"才能将碳原子的电子构形从SP^2π态改变成SP^3态，碳原子从而以金刚石四面体结构沉积到金刚石表面，金刚石晶格结构的形成是在金刚石表面层完成的。

The integrated analytical results show that the novel ligand coexists in ketoform and enolform structures under the measuring conditions, the ketoform structure may change into the enolform structure during the coordination and bonds with the central ion by two O atoms of the enolized hydroxyl group of pyrazolone ring and H2O and the N atom of the imine group and the N atom containing H of benzimidazole ring by losing the proton. And the coordination number of these complexes is four.

综合各种分析结果显示：配体在测试条件下以酮式和烯醇式结构共存，配位时酮式可能转化为烯醇式结构，按去质子的方式以吡唑啉酮环羟基和H2O上的两个O原子以及亚胺基上的N原子和苯并咪唑环上的含氢N原子与中心离子成键，配合物的配位数为4。

In the synthesis process, aluminum isopropoxide or pseudo-boehmite is used as aluminum resources, and hexacosanoic propylamine and isopropylamine or the mixture of both are used as templates, thereby realizing the purposes of single feeding adoption, relatively mild crystallization condition, suitable water-solid ratio and great template dosage reduction.

一种用杂原子取代AEL骨架结构磷铝酸盐分子筛的合成方法，该方法是以氯、钛、钴、钙、钯、锌、铈和锆等杂原子为杂原子物料来取代磷铝酸盐分子筛的AEL骨架结构，并在合成过程中以异丙醇铝或拟薄水铝石为铝源，正二丙胺、异二丙胺或两者的混合物为模板剂，从而实现采用一次投料，晶化条件相对温和，水固比适宜，模板剂用量大大下降的目的。

The coordination geometry of the Eu atom is best described as a strongly distorted square-antipyrism.. The two Eu atoms are bridged by two N-oxide oxygen atoms forming a dimeric unit with crystallographic inversions centre. The Eu……Eu distance is 4.2137(9)〓. The two europium atoms and two bridging oxygen atoms is coplanar. The angles of Eu(1)-O(7)-Eu(1A) and O(7)-Eu(1)-O(7A) are 117.82(14)° and 62.18(14)°, respectively. 15 is the first dinuclear triboluminescent lanthanide complex reported.

同时还测定了其摩擦发光光谱与其光致发光光谱，并讨论了晶体结构和摩擦发光活性之间的关系。X-射线结构分析表明，15为有对称中心结构的配合物，每个Eu与三个HTTA的六个O原子和两个PyO的两个O原子形成八配位的四方反锥几何构型，2个N-Oxide O原子桥联两个Eu，形成了一个双核配合物，Eu。。。。

The analyses of electronic structures shows that the catalytic reactivities for H2 adsorption of the different surfaces are dependent on the numbers of s orbital bonding electrons around Fermi level for the uppermost layer metal atoms which interact directly with H2. It is easy to form vacancy for hydrogen atoms next to iron atom, which indicates that hydrogen atom cannot be escaped, but it is difficult to from vacancy for hydrogen atoms next to magnesium atom, which indicates that hydrogen atom can be escaped. Hence it is thought that the change of dehydrogenating properties of MgH2 with or without a little iron addition attributes to the weakened bonding between magnesium and hydrogen.

分析电子结构发现：空位缺陷有助H2吸附于Mg表面，与Mg(0001)表面最上层与H2直接产生吸附作用的金属原子在费米能级附近s轨道的成键电子数密切相关；在Fe合金化MgH2体系中，与合金化元素Fe近邻的H原子形成空位的难度增加，H原子较难释放；与Mg近邻的H原子形成空位的难度减少，H原子容易释放；Fe合金化导致Mg-H之间存在较弱的成键作用，因此，MgH2体系的解氢性能得到提高。

For comp ound 7, the cage is consisted by six MoO〓 and four PO〓. The six MoO〓 octahedrons have consisted to the loop structure, the there PO〓 tetra hedron become triangle and the other one lies the centre. The one oxygen of two MoO〓 octahedron is coordinated to Mn atom which linked the other cage like this cag e and this Mn have six ligands.

在化合物7中，每一个笼由6个MoO〓八面体和4个PO〓四面体构成，6个MoO〓八面体构成环，四个PO〓四面体形成一个三角形在其上面，4个P和6个Mo具有C〓的对称性，每二个MoO〓八面体提供一个O原子与Mn原子配位，这个Mn原子再与相同的这样的笼相连，形成一个中间细两端粗的形状，这个Mn原子是6配位的，每一个这样的笼再通过一个Mn原子连接起来，形成二维的网状结构，而这个Mn原子是五配位的。

At the same time,a tension stress is applied on theγ′phase interfaces along the direction parallel to the stress axis,which results in the lattice expansion ofγ′phase to trap the Al,Ta atoms with the bigger radius.This brings out the accumulation of the solute atoms to form the N-type rafted structure.Al,Ta atoms with bigger radius diffuse to the {100} plane to form the linked bond of the heterogeneous atoms and the stable stacking mode,this is a main reason of promoting the transformation ofγ′phase into the N-type rafted structure.And the change of the strain energy density in different interfaces of the cubical-likeγ′phase is thought to be the driving force of the elements diffusion and theγ′phase directional growth during creep.

拉伸蠕变期间，类立方γ\'相中与施加应力轴垂直的界面受水平切应力，使晶格收缩可排斥较大半径的Al、Ta原子；与应力轴平行的界面受拉伸张应力，使晶格扩张可诱捕较大半径的Al、Ta原子，由此引起的原子偏聚形成γ\'相是自由能降低的过程；其中，较大半径的Al、Ta原子扩散迁移至{100}晶面，形成异类原子结合键及稳定的堆垛方式，是促使γ\'相形成N-型筏状结构的主要原因；而γ\'相不同界面的应变能密度变化是元素扩散及γ\'相定向粗化的驱动力。

The hyperfine fields of Fe hexagonal-based atomic chains are presented, the equilibrium atomic distance and electronic structure are investigated, with the comparison of the bcc Fe, two-dimensional monolayers and one-dimensional monoatomic linear chains of Fe.

国际上首次研究了基于六角结构的Fe原子链的超精细场，给出了平衡原子间距，分析了电子结构，同bcc Fe，Fe单原子层和Fe单原子链的结果进行了比较。

The electronic structures of cluster Fe8 with D6h symmetry and Fe15 with Oh sysmmetry have been studied by MS-X method..The results show that(1 the exchange splittings of the d-band and the magnetic moments of the Fe-atoms are different in the two clusters;(2)the change distribution in both clusters is not uniform,showing that the electrons are transferred from peripheral atoms to inner atoms,and the spin-directionof the electrons transferred is in accordance with the symmetric characteristics...

用MS-Xα方法研究了Fe8原子簇（具有D6h对称）和Fe15原子簇的电子结构，结果表明：（1）两种原子簇中的Fe原子磁矩及其d能带中的交换劈裂性质互不相同；（2）两类原子簇中的电荷分布不是均匀的，电荷倾向于从外围原子向内部原子上转移，并且被转移电子的自旋方向与原子簇的对称性质密切相关。

If you are unfortunate enough to the lovelorn, please tell me, I will help you out, really, please contact me!

如果你不幸失恋了，请告诉我，我会帮助你摆脱困境，真的，请联系我啦！

China's plan to cut energy intensity by 20 percent and pollutant discharges by 10 percent between 2006 and 2010 is a case in point.

中国计划在2006年到2010间降低20%的能源强度和减少10%的主要污染物排放，就是一个这样的例子。