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Crystal lattice constants are close to other experiment results. Three kinds of chemical bonds exist among Mg and B atoms, between magnesium and boride is ionic bond and metallic bond is the predominant interaction in the layer formed by magnesium atoms. A strong covalent bond in the form of sp2 hybrid between boride atoms is the most important factors which can affect the transition temperature of MgB2. Population analysis clearly shows that electrons are transferred from Mg to B, as a result, the electron-phonon coupling in the layer of B is very strong.

规范保守赝势的计算结果表明,晶格常数与实验值误差在很小的范围内,分析了引起MgB2(001)面结构超导转变时电子浓度和偏态密度的变化情况,发现构成该超导体结构的成键有3种,着重从结构的电子浓度变化分析了其超导特性,六角蜂窝状结构中硼原子间相互作用为sp2杂化的共价键,镁原子和硼原子之间是离子键结合,镁原子层是金属键结合,镁原子的价电子部分转移到硼原子的pz轨道,部分电子为镁原子层共用。

Information about the transition metal ions in molecular sieves would be beneficial to understanding their catalytic behaviors.

对过渡金属在杂原子分子筛中存在状态的研究有助于更好的理解它们在催化反应中的行为。

The present situation of the application of the heteroatom-containing molecular sieves in chemical industry is reviewed, and the problems in their synthesis and application are analyzed.

最后对杂原子分子筛的应用前景进行了展望,并对其合成和应用存在的问题进行了分析。

Titanium silicalite molecular sieves are a type of heteroelements-containing molecular sieves which are comprised of Ti-0 tetrahedrons and S:-0 tetrahedrons.

钛硅分子筛是由钛氧四面体和硅氧四面体构成的一类杂原子分子筛,它是将钛引入全硅分子筛骨架的一种新型催化材料。

The phenol may optionally possess combinations of heteroatoms, such as O, N, P or S, and may be dimerized.

该酚可选择性地包含例如是O、N、P或S的杂原子的组合,其也可以是二聚物。

Additionally, we reported on the reactions between alkyl halides and cyclic imides, N-monosubstituted sulfonamides, 2-mercaptobenzothiazole or sodium arenesulfinates respectively.

正文部分中介绍了本论文实验工作的二个主要部分组成:一、离子液体中O、N、S等杂原子烷基化反应研究;二、离子液体中的Knoevenagel缩合及其相关反应研究。

The synthesis of hetero-atoms zeolites is an important aspect of the research of zeolites.

杂原子沸石的合成,是目前分子筛研究中的一个重要方面,由于骨架中引入性质不同于硅、铝的元素,有可能赋于沸石新的催化性能,拓宽沸。。。

The ligand was used to prepare for a series of its transition metal complexes by the replacement reaction with metal salts.

并用该杂原子大环配体与过渡金属的盐进行置换反应,合成了相应金属:Ni、Cu、Co、Zn和Cd的大环配合物。

The complex is applied to the ring cleavage reaction of various organic boron agents to the hetero atom norbornadiene.

该类络合物适用于各类有机硼试剂对杂原子降冰片二烯的不对称催化的开环的反应。

The results show that perfect anatase nanocrystalline TiO2 can be obtained by SGRTSE method and the photocatalytic activity of TiO2 can be improved by doping and surface treatment. In the experimental system, the addings of proper salts are beneficial to the photocatalytic degradation of DBSNa. The pH value of solution, adding amount of TiO2, flow rate of air, and initial concentration are the main influence factors for the photocatalytic degradation of methyl orange, and the apparent reaction order is pseudo-first-order, which could be described by Langmuir- Hinshelwood equation.

结果表明:sol-gel法结合室温溶剂蒸发诱导可制备出晶型良好的锐钛型纳米TiO_2;过渡元素和稀土元素杂原子掺杂,贵金属掺杂和表面酸化处理是有效提高TiO_2光催化活性的途径;试验体系中,在DBSNa的降解过程中加入适量的盐,可以大大加速降解效果;光催化降解水中有机物,溶液pH值,TiO_2投加量,曝气速率,被降解物起始浓度等是影响降解效果的重要因素;对起始浓度较低的有机物光催化降解过程可利用简化的Langmuir-Hinshelwood动力学方程进行描述,反应级数为拟一级。

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此刻阴唇已经几乎完全的缝在一起了,排除多余淤血体液的管子和Foley导管从顶端冒出来。

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