构

It shows that the cone conformation of the hosts is more stable than others when it is nottaking account of the solvent. Then, the possibility of the conformational interconversion of hosts at the different temperature iscalculated by molecular dynamics.

二是应用分子动力学方法探讨了在不同温度下各种构象之间相互转换的可能性，表明了当分子的下缘取代基团比较大时，增大了苯酚环发生翻转的空间位阻，各种构象之间翻转的难度将有所增加。

The constitutive equation between current density vector and electric field strength vector is tranformed into s-domain by the principle of Laplace transform,and the inverse Laplace transform is adopted for the explicit equations between them in time-domain. Finally through exponential time stepping,the FDTD iteration equations are obtained,which can be easily solved in discrete-time-domain.

该方法是将电流密度矢量与电场强度矢量之间的本构方程基于拉普拉斯变换原理转到复频域，然后再逆变换到时域得到它们之间显式的方程，最后再结合指数差分，得到离散时域的显式的FDTD迭代方程，解决了本构方程中电流密度矢量的分量相互耦合而不易直接离散的困难。

The equilibrium structure of the ionic cluster is very different in geometry from that of the neutral cluster.The results also revealed the significant difference between the two kinds of fragment ions and the corresponding neutral cluster.

研究结果表明：中性团簇最稳定构型为R－HNH2－HNH2(R∶1，4-二氧六环)，离子团簇由于发生质子转移，其构型与中性团簇有较大的不同，两类碎片离子R(NH3)＋和R(NH3)H＋与中性团簇R(NH3)的结构也有所不同。

The molecular structure of this isomer has been determined by X-ray diffraction and it is the first time to report the crystal structure of this kind of isomer which was proposed erroneously in the literature.

采用X-射线衍射的方法测定了其中一个异构体的结构，这是对此类异构体单晶结构的首次报导，纠正了文献中存在的对此类化合物结构的错误认识。

Isomerism is very important because enzyme specificity restricts viable organisms to the use of only one of the two forms.

异构现象是非常重要的，因为酶的特异性限制生物体都只能使用两种同分异构体中的一种。

The research showed that temperature affected the isomerism most, then the pressure of hydrogen and the concentrations of catalyst.

结果表明，温度对氢化反应的异构化影响较大，氢气压力和催化剂浓度对异构化的影响相对较小。

Isomerism is very important beca use enzyme specificity restricts viable organisms to the use of only one of the two forms.

异构现象是非常重要的，因为酶的特异性限制生物体都只能使用两种同分异构体中的一种。

Thus achieve the company isomerism data integration, realize enterprise information resources more effective use and data sharing.

最后针对"销售信息网络管理集成系统"的需求，利用XML和JAVA技术，在Windows 2000 环境下，采用本文给出的异构数据集成体系结构，实现了公司异构数据的集成，达到了数据的共享。

The effects of nature of catalyst, temperature, amount of catalyst, and time on isomerization rate and product compositon were also studied.

同时研究了异构化反应中不同催化剂、反应温度、催化剂用量和时间对异构化速率及产品组成的影响。

The composition of isomerization product is very similar to that of commercial products.

不同的反应介质决定了异构化产物中c9，t11-和t10，c12-异构体的比值。

Breath, muscle contraction of the buttocks; arch body, as far as possible to hold his head, right leg straight towards the ceiling (peg-leg knee in order to avoid muscle tension).

呼气，收缩臀部肌肉；拱起身体，尽量抬起头来，右腿伸直朝向天花板（膝微屈，以避免肌肉紧张）。

The cost of moving grain food products was unchanged from May, but year over year are up 8%.

粮食产品的运输费用与5月份相比没有变化，但却比去年同期高8％。