查询词典 atom structure

The chelate structure was examined by AFM scaning, single strand structure at AFM gram is Ala-Gln, two combined single strand is Ala-Gln-Zn~(2+), and atomic radius of Ala-Gln-Zn~(2+)'s conjunctive atom is about 0.24 to 0.25nm, which is near to Zn~(2+), so the conjunction atom is Zn~(2+). Thus the coordination reaction and the molar ratio 2:1 is proved again.

原子力显微扫描指出，大量出现的单一弯曲链状结构是Ala-Gln分子，而两两组合连接的链状结构，则是Ala-Gln-Zn~(2+)螯合物，且连接两个链状结构、半径约为0.25nm的中心原子是Zn~(2+)，证明Ala-Gln与Zn~(2+)形成配位比为2：1稳定螯合物。

The results show: the strongest bond is the Al-Al bond in the segregated cell without containing vacancy, where the Al atomic covalence radius is greater than that of Li atom in the cell; while the strongest bond is the Al-Li bond in the segregated cell containing vacancy, and the Al atomic covalence radius in the cell is less than that of Li atom. Since the difference of electronagativity between the Al and Li atoms is obvious, it is inclined to formed the Al-Li segregated cell of short range order structure in the condition of vacancy present. The short range order structure containing vacancy is probably the embryo or precursor structure of the metastable phase δ′(Al3Li). Because the strongest covalent bond in the Al-Li-vacancy segregated cell in alloy formed in quenching is the main strength reason for supersaturated solid solution of alloy. The bond net of succeeding precipitation of δ′(Al3Li) has the picture of anisotropic Al-Al bonding and the bond intensity enhanced. Since the δ′(Al3Li) is coherence with matrix, the bond net strength is enhanced by the precipitation of δ′(Al3Li) and so strengthen the alloy.

计算结果表明：不包含空位的偏聚晶胞的键络最强键为Al—Al键，其中Al原子的共价半径较Li原子的共价半径要大；而含空位的偏聚晶胞的最强键为Al—Li键， Al原子的共价半径要比Li原子的共价半径要小；在空位存在的情况下，由于Al原子与Li原子的电负性相差明显，促使Al和Li原子结合，倾向形成Al-Li短程序结构偏聚区，这种含空位的短程序结构很可能就是δ′(Al3Li)亚稳相的前兆结构和生长胚胎；由于Al-Li-空位有序偏聚晶胞的Al—Li键络比基体键络要强许多，因此，淬火过程中合金生成的Al-Li-空位偏聚晶胞对合金过饱和固溶体起主要强化作用；后续析出的δ′(Al3Li)亚稳相键络各项异性显著，键络强度明显提高；由于Al3Li与基体共格，其大量均匀弥散析出起到提升基体整体键络强度，同样对合金产生强化作用。

The results show: the strongest bond is the Al-Al bond in the segregated cell without containing vacancy, where the Al atomic covalence radius is greater than that of Li atom in the cell; while the strongest bond is the Al-Li bond in the segregated cell containing vacancy, and the Al atomic covalence radius in the cell is less than that of Li atom. Since the difference of electronagativity between the Al and Li atoms is obvious, it is inclined to formed the Al-Li segregated cell of short range order structure in the condition of vacancy present. The short range order structure containing vacancy is probably the embryo or precursor structure of the metastable phase δ'(Al3Li). Because the strongest covalent bond in the Al-Li-vacancy segregated cell in alloy formed in quenching is the main strength reason for supersaturated solid solution of alloy. The bond net of succeeding precipitation of δ'(Al3Li) has the picture of anisotropic Al-Al bonding and the bond intensity enhanced. Since the δ'(Al3Li) is coherence with matrix, the bond net strength is enhanced by the precipitation of δ'(Al3Li) and so strengthen the alloy.

计算结果表明：不包含空位的偏聚晶胞的键络最强键为Al-Al键，其中Al原子的共价半径较Li原子的共价半径要大；而含空位的偏聚晶胞的最强键为Al-Li键，Al原子的共价半径要比Li原子的共价半径要小；在空位存在的情况下，由於Al原子与Li原子的电负性相差明显，促使Al和Li原子结合，倾向形成Al-Li短程序结构偏聚区，这种含空位的短程序结构很可能就是δ'(Al3Li)亚稳相的前兆结构和生长胚胎；由於Al-Li-空位有序偏聚晶胞的Al-Li键络比基体键络要强许多，因此，淬火过程中合金生成的Al-Li-空位偏聚晶胞对合金过饱和固溶体起主要强化作用；后续析出的δ'(Al3Li)亚稳相键络各项异性显著，键络强度明显提高；由於Al3Li与基体共格，其大量均匀弥散析出起到提升基体整体键络强度，同样对合金产生强化作用。

The X-ray crystal structure reveals that thiourea coordinates with Pd via S atom,and the complex as a whole was in complete symmetry with palladium atom at the symmetry center of the plane square structure.

硫脲是有效反萃剂，从萃合物的晶体结构看出，硫脲通过S原子与Pd配位，萃合物以Pd原子为中心构成平面正方型结构。

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 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。

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。

The structure of the compound 〓(1) consists of a pentanuclear molecule which is center-symmetric. One W atom is coordinated by four S atoms and two Cu atom. As expected, the Fe atoms are sandwiched between two staggered pentadiene rings. The most interesting aspect of the structure is that Fe-C-P-Cu-P-Cconstitutes a distorted hexagon and Fe-Cu-W-Cu-Fe is nearly in a line.

结构是以W原子为对称中心含有五个金属原子的线型结构，W原子与四个μ〓-S和两个Cu原子配位；Fe原子在两个戊二烯环中间形成一个三明治夹心结构；Fe〓-C〓-P〓-Cu〓-P〓-C〓-构成扭曲的六边形，由于两边1，1'-双二茂铁配体的作用导致Cu-S键的拉长。

The results indicate that [(L 1) 2SnEt 2] can selectively bind to the N 1 atom of the base and the phosphate oxygen atom of AMP and may further destroy the helical structure of DNA, while the dimethyltin compound of 1,3 dimethyl 4 acetyl 5 pyrazolone [(L 1) 2SnMe 2] merely binds to the the phosphate oxygen atom of AMP and causes the contraction of DNA helical structure.

结论3 二甲基 4 乙酰基 5 吡唑酮的二乙基锡配合物(L1 ) 2 SnEt2 可与AMP 的碱基N1 和磷酸根氧原子螯合并可能会破坏DNA 的双股螺旋结构；而二甲基锡配合物(L1 ) 2 SnMe2 易与单核苷酸的磷酸氧结合，难以与单核苷酸的碱基氮原子稳定结合且只引起DNA 双股螺旋的收缩

The atom structure model of Ni64Pd16Al20 amorphous alloy was set up by using molecular dynamics theory.

摘 要：根据分子动力学理论建立了非晶Ni64Pd16Al20的结构模型，利用Recursion方法计算了Ni64X16Al20系非晶及相应晶态的电子结构。

On the other hand, the more important thing is because the urban housing is a kind of heterogeneity products.

另一方面，更重要的是由于城市住房是一种异质性产品。

Climate histogram is the fall that collects place measure calm value, cent serves as cross axle for a few equal interval, the area that the frequency that the value appears according to place is accumulated and becomes will be determined inside each interval, discharge the graph that rise with post, also be called histogram.

气候直方图是将所收集的降水量测定值，分为几个相等的区间作为横轴，并将各区间内所测定值依所出现的次数累积而成的面积，用柱子排起来的图形，也叫做柱状图。