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For 9 pyrazole compounds, their geometry and electronic structures were analyzed by means of natural bond orbital theory; their reactivity was analyzed by electrostatic potential distributions, heats of formation and Bader density were also calculated. After that, detonation velocities and Chapman-Jouguet pressures of these compounds were given by means of VLW equation.

在最稳定几何构型基础上，基于自然键轨道理论，分析了稳定结构的成键情况和吡唑环上的共轭性；用静电势图分析了吡唑化合物的反应性；理论估算了9种化合物的标准气态生成热和Bader密度；最后采用VLW方程计算了这些化合物的爆速、爆压。

The pyrolysis mechanism of nitrogen element in pyridazine as a model compound of coal was investigated by density functional theory method. The Mülliken populations, bond dissociation enthalpies and pyrolysis mechanism of title compound were calculated under theB3LYP/6-31G level.

利用密度泛函理论方法，以哒嗪为煤的模型化合物，在B3LYP/6-31G水平下计算了标题化合物的键布居数和键裂解能，并对其热解机理进行了探讨。

Because,the amount of double bond of BVE decreases in the process of BVE polymerization,therefore,in the same time the quenched flu-orescence of pyrylium salt can be recovered gradually.

由于在BVE的聚合过程中，被猝灭的氧鎓盐荧光会因BVE聚合、双键减少而使氧鎓盐荧光逐步恢复。

the title compound was synthesized and its structure was studied in theory.the schiff base compound was synthesized by condensation of paeonol with furylfurylamine,then it was deoxidized by sodium borohydried.the energies,bound lengths,bound angles,the net charges of main atom and contributive percents of frontier orbital in the title compound have been calculated by software hyperchem 7.0 in half experience method.the yield rate of title compound was 65.6%.the result of calculation showed that the most of the bond lengths and angles in the system were in the the normal range,negative charge mainly concentrate on o1,o2,o3 and n1.the title compound behaves as quadridentate ligand.

目的合成标题化合物并对其结构进行了理论研究。方法以丹皮酚和糠胺为原料合成席夫碱，经硼氢化钠还原得标题化合物；使用hyperchem7.0程序，用半经验方法计算了化合物分子中能量分布、主要键长、键角以及主要原子的净电荷分布和前言轨道分布。结果标题化合物，收率65.6%；计算结果分析表明，分子中主要原子之间的键长、键角基本在正常的范围内；负电荷主要集中于o1，o2，o3和n1上。

The energy of the complex molecule has been compensated by a hydrogen bond formed by, a proton bonding to a quinolyl nitrogen atom and a nitrate ion.

分子中有一个氢离子与另一个喹啉N原子结合并与硝酸根的氧原子形成氢键，从而使配合物分子在能量上得到补偿。

The influence of the position of a rebar in concrete on its bond behaviour.

钢筋在混凝土中的浇筑位置对其粘结性能的影响。

Secondly, Neural Network model was built up to predict ultimate bond strength between the rebar and corroded concrete.

其次，建立了受腐蚀钢筋混凝土极限粘结力的神经网络预测模型。

What are the factors influencing the bond stress between rebar and concrete?

钢筋和混凝土之间粘结应力的大小与哪些因素有关？

You can have fun, reconnect, and strengthen your bond now.

你可以愉快的，重新联系，并加强你们的关系。

Mr Buffett, crowned this week as the world's richest man, also withdrew his recent offer to reinsure three troubled bond-insurers to the tune of $800 billion.

在本周荣获世界首富的巴菲特先生也向三大深陷困扰的债券保险商的撤回了他刚刚提供8000亿美元的担保基金。

Nowadays, most of research are to build a transmutative Petri Nets through adding controlling place sets, controlling arc sets and controlling policy to the basic Petri Nets, while the Controlled Petri Nets could be used to argue many controlling theory problems conveniently and to induce many logically and physically supervisory and solve the Event Feedback Controlling Problems and State Feedback Controlling Problem in DEDS supervisory theory.

目前大多数的研究表现为在变形后的受控Petri网基础上，利用各种方法求得各种逻辑型、结构型控制器，解决DEDS监控理论中的事件反馈控制问题与状态反馈控制问题。

On one hand, there are discussions with the works council and union about extension of short time working up to the end of September.

一方面，有讨论，工程理事会和联盟关于延长工作时间短至9月底。