查询词典 tetrazole

In order to elucidate the relative magnitude of impact sensitivity of tetraozlde derivatives and their complexes and to provide valuable information for designing and synthesis of new type of safe and insensitive initiators, in the whole process we concentrate on the molecular and electronic structures, static and dynamic state properties and explosive performance of tetrazole compounds.

因为认识化合物的结构-性能关系是进行分子和材料设计的基础，所以为从分子水平上阐明四唑衍生物及其金属配合物的感度相对大小排序，从理论上指导新型安全钝感起爆剂的设计和合成，本文致力于标题物的分子结构、电子结构和静态、动态以及爆炸性质的深入研究。

The transition states of ring-breaking and of N2 losing during the thermal decomposition of a series of 5-substituted–1H and –2H tetrazole derivatives have been obtained.

求得了系列5-取代-1H四唑和5-取代-2H四唑的热解开环和失N2两个基元反应的过渡态。

Author had started the research on design and synthesis of heterocycles several years ago, mainly focused on the design and synthesis of imidazole, thiazole, tetrazole derivatives and their glucosides, in which most of them may have some particular bioactivities.

本论文主要是围绕具有生理活性含氮杂环化合物的设计与合成而展开的，在论文工作中我们应用液相&一锅法&和固相组合化学方法进行了咪唑环、噻唑环、四氮唑环等具有生理活性的杂环化合物及其糖苷的合成。

Tetrazole compounds are the most extensively studied initiators apart from azides.

四唑化合物是除叠氮化物以外研究得最多的起爆药剂。

The research work in this dissertation covers a wide range: from tetrazole derivatives to their complexes, from the static structure properties to dynamic properties, from gaseous phase to condensed state and from fundamental physical chemical properties to explosive performance.

通过大量计算研究，从各类衍生物到它们的配合物、从气相到液相、从静态到动态、从一般物理化学性质到爆炸性质，在占有文献和计算数据的基础上，进行分析比较和论证，导致如下主要结果和结论。

Comparisons show that there is no correlation between the experimental sensitivity of tetrazole compounds and various previously proposed theoretical static criteria, such as the bond length and bond order of relevant bonds, net atomic charges and electronegativity and the content of 2H-teterazole isomers in both gaseous and condensed states.

把四唑衍生物的实验感度与前人曾提出过的各种感度理论判据—一些静态结构性质(如相关键的键长、键级、原子电荷和电负性等)以及平衡体系中2H-异构体的含量—进行比较，均未找到它们之间的规律性联系。

The accurate theoretical heats of formation for 56 derivatives are obtained through designing the isodemic and isogyric reactions with the tetrazole parents as the reference compounds.

通过设计等键和等电子对反应，以四唑母体为参考物，首次精确地报导了系列56个四唑衍生物的理论生成热。

The theoretical properties of BTATz were estimated by a B3LYP method based on 6-31G basis set. The stable geometric configuration and bond order were obtained. The vibrational frequencies, IR spectrum and thermodynamics properties under different temperatures were obtained from vibrational analysis, and the relationship between temperature and thermodynamics properties was deducted. Pyrolysis mechanism of BTATz was discussed, and the transition state and activation energy of ring opening reaction of the tetrazole were deducted.

用B3LYP方法，在6-31G基组水平上对其性能进行了计算，得到了其稳定的几何构型和键级；在振动分析的基础上求得体系的振动频率、IR谱及不同温度下的热力学性质，并得到了温度对热力学性能影响的关系式；探讨了其热解机理，推断出四唑环开环时的过渡态和活化能。

The target compound was cut off from the middle of the two benzene ring of Biphenyl Tetrazole and the key step was accomplished through Suzuki Coupling reaction.

第二部分：抗高血压药物——缬沙坦的新合成路线研究我们分别以对溴甲苯，对溴苄溴和对溴苯甲醛为起始原料分三条路线完成了缬沙坦的全合成。

By the nucleophilic substitution reaction of 6-O-tosyl-l,2:3,4-di-O- isopropylidene-a-Z-galactopyranose (3) with some substituted 1, 2,4- triazole-3-thiols (4a ~ 4c) or 1, 2, 3,4-tetrazole-5-thiols (5a~5f), nine 6-S-(substituted triazolyl or tetrazolyl)-l,2 : 3,4-di-O- isopropylidene-a-D-galactopyranoses (6a ~ 6i) were prepared in high yields. Their structures and configurations were analyzed and established by elemental analysis, IR, NMR, MS spectra.

报道了6－O－对甲苯磺酰基－1，2：3，4－二－O－异亚丙基－α-D吡喃型半乳糖（3）与取代的3－巯基三唑或5－巯基四唑4a-4c或5a-5f的亲核取代反应，合成了9个6－S－－1，2：3，4－二－O－异亚丙基－α- D吡喃型半乳糖（6a-6i），通过元素分析，IR，NMR和MS确证了上述化合物的结构，并经分子模型计算进行了其构象分析。

However, as the name（read－only memory）implies, CD disks cannot be written onorchanged in any way.

然而，正如其名字所指出的那样，CD盘不能写，也不能用任何方式改变其内容。

Galvanizes steel pallet is mainly export which suits standard packing of European Union, the North America. galvanizes steel pallet is suitable to heavy rack. Pallet surface can design plate type, corrugated and the gap form, satisfies the different requirements.

镀锌钢托盘多用于出口，替代木托盘，免薰蒸，符合欧盟、北美各国对出口货物包装材料的法令要求；喷涂钢托盘适用于重载上货架之用，托盘表面根据需要制作成平板状、波纹状及间隔形式，满足不同的使用要求。