查询词典 atom model

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。

The result is that both tin atoms are five-coordination, have a distorted trigonal bipyramidal geometry with an additional week interaction between another oxygen atom and tin atom.

分子中四个羧酸酯基有桥联双齿和单齿两种不同的配位模式；在内环锡和外环锡的配位单元中，锡均形成具有五配位的畸变三角双锥配位构型，同时另有一氧原子与中心锡原子之间有弱相互作用。

It is found that in this structure the molybdenum atom is coordinated by six sulfur atoms of three 1, 1 -dicynoethylene 2 ,2 -dithiolate(i-mnt2 -) ligands and a terminal oxygen atom, forming a distorted pentagonal bipyramidal structure.

结构分析结果说明Mo原子与三个配位基的六个硫原子和一个端基氧形成扭歪五角双锥结构。

In all those complexes, no matter which conformation IDA assumes (mer- or fac-style), the two 0 atoms of 1N2O are both from carboxylic hydroxyl. However, by comparing the bond length, we can find that O(4) and O(2) atom is from different group in this complex, 0(4) atom from carboxylic hydroxyl, whereas, 0(2) from carboxylic carboxide.

值得注意的是：在这个双核配合物中，我们首次发现一种新颖的配位方式：IDA上与金属离子配位的三齿螯合原子是亚氨N原子、一个羧基上的羟基O原子和另外一个羧基上的羰基O原子。

Both crystallographically unique Zn atoms exit as an octahedral geometry. The four equatorial positions of Zn1 atom are occupied by the carboxylate-oxygen atoms of the two tartrates, and the two oxygens of the left four carboxylate-oxygen atoms coordinate to two different Zn2 atoms, respectively, forming infinite coordination polymer chains. The left two of the trans equatorial positions of Zn2 atom are completed with two oxygen atoms of two water molecules. The axial positions of both Zn atoms are occupied by the nitrogen atoms from different 4,4'-bipyridine molecules to give a 2D rectangular-grid layers with a cavity dimension of 0.51165(3)nm×1.13896(5) nm. A three dimensional network is formed by the crystallization water chains joined by the carboxylate-oxygen atoms through hydrogen-bonding interactions.

两个晶体学独立的Zn原子均为八面体构型，其中Zn1原子赤道配位点被2个酒石酸根中的4个羧酸根氧螯合配位， 2个酒石酸根中剩下的4个羧酸根氧中的2个分别与2个Zn2原子连接形成无限一维链， Zn2原子的另外2个反式赤道配位点被2个水分子氧占据，同时这两种Zn原子的轴向配位点均被4，4'-联吡啶的氮原子占据，形成具有矩形格子[0.51165(3) nm×1.13896(5) nm]的二维层状结构，游离的2个水分子通过氢键作用形成二聚体，并与酒石酸根中未与Zn配位的羧酸氧连接，把二维层状结构连接成三维网状的超分子结构。

Said chemical matter comprises compound containing ammonium and halogen atom absorption, and lower carbon number hydrocarbons containing halogen atom and it's derivant; it can be used separately or together with urea, ammonia gas and natural gas.

这些化学添加物包括含有铵和卤原子的化合物、含有胺及卤原子的化合物以及含有卤原子的低碳烃及其衍生物，可以单独使用或与尿素、氨、天然气等主还原剂混合使用。

The organoboron compounds in this paper are based on triarylboranes, boronic acids and boronic esters. The structure-property relationship and sensing mechanism are elucidated. Organoboron compounds as Lewis acid can be used as fluoride probe with high sensitivity and selectivity because they have a unique LUMO in which the π-conjugation is divergently extended through the vacant p-orbital of the boron atom. The complexation of the boron π-electron systems with fluoride ion would interrupt the π-conjugation extended through the boron atom, causing the change of photophysical properties.

介绍了基于三芳基硼化合物、硼酸和硼酸酯的有机硼化合物在氟离子检测中的应用，评述了这些化合物的结构和检测性能之间的关系，讨论了检测机理，即有机硼化合物中硼原子空的p轨道使其作为路易斯酸能够选择性地结合氟离子，硼原子与氟离子的结合破坏了硼中心与芳香取代基的p-π共轭，引起有机硼化合物光物理性质的变化，从而实现对氟离子的高选择性检测。

Direct solution to the Schrodinger equation forlithium atom using hyperspherical coordinates The main purpose of this thesis is to explore anefficient method of direct solution of Schrodingerequation for lithium atom using hyperspherical coordinates,and calculate it's eigenenergy and wavefunction in ground-state so that electron correlation is discussed.

本论文的主要任务是在超球坐标下讨论N（N≥3）电子原子〓方程的严格求解，并具体计算锂原子的能量本征值和波函数，从而分析和讨论电子间的相关。

The energy of a H atom will lower when the H atom enters into the two inequivalent interstitial sites in Co〓Ti, the volume expansion of Co〓Ti are very small, and the energy barrier between the two interstitial sites is lower.

计算结果显示H原子进入Co〓Ti中的两个填隙位置后能量会降低，而且Co〓Ti的体积变化很小，两个填隙位置间的势垒较小。

The meso carbon atom of the methine linkage of the dye is attached to the nitrogen atom of an amino group.

该染料的甲川链上的中位碳原子与氨基的氮原子相连。

I hope that this success is just the first in a long series.

我希望这只是成功的开始。

Three dimensional stresses on the interface of tire and soil, tire deflection and soil sinkage are measured.

测试轮胎——沙土界面上的三向应力、轮胎变形和沙土沉陷；建立考虑剪切应力对沙土承载特性产生影响的车轮牵引性能预测模型；分析车轮作用下土壤的纵向稳定性。