查询词典 functional

Moreover for derivatives of benzimidazole, density functional theory method calculations of the structure, atomic charge distributions and electronicspectra have been performed at B3LYP/6-311G*~* level. The results of the calculationshave been compared with experimental data and they are found to support each other,which provide useful information for the further study on derivatives ofbenzimidazole.

并运用密度泛函理论在B3LYP／6-311G~**料水平上，对化合物的优化几何、原子电荷分布及转移、电子光谱以及及在不同温度下的热力学性质进行了计算，从而为苯并咪唑类化合物的进一步研究提供了有价值的参考和理论数据。

The trifluoromethyl modified benzofuran compounds synthesized by the invention contain a plurality of functional groups in benzene ring portion, and can be used as precursor for subsequent synthesis of benzofuran medicine intermediate containing trifluoromethyl.

本发明合成的三氟甲基修饰的苯并呋喃类化合物，苯环部分包括多种官能团，可以作为后续合成含三氟甲基苯并呋喃药物中间体的前体。

The geometries,electronic structures,polarizabilities and hyperpolarizabilities,as well as the UV-Vis spectra of the two organic dye sensitizers containing bis-dimethylfluorenyl amino benzofuran were studied via density functional theory and time-dependent DFT.

运用密度泛函理论和含时密度泛函理论研究了两种含二-二甲基芴氨基苯并呋喃基团的有机染料敏化剂的几何结构、电子结构、极化率和超极化率以及紫外可见谱。

From the functional relationship between the flooding gas and liquid velocities derived from the two-film theory based on the Bernoulli equation,two parameters which are relative to the packing property were investigated.

根据从双膜理论出发由Bernou lli方程得到的液泛气速与液速之间的函数关系，考察了两个与填料有关的模型参数：一个是由填料比表面积a和床层空隙率ε所组成的填料因子a/3ε，另一个是本文定义的填料结构参数。

As of this writing the service is in beta, however it is a fully functional one.

作为这个写作的服务是处于测试阶段，不过这是一个功能齐全的一个。

It's not unusual to see test plans biased toward functional testing.

将测试计划偏重于功能测试的情况的并不少见。

It'snot unusual to see test plans biased toward functional testing.

将测试计划偏重于功能测试的情况的并不少见。

Bicycler. They are not that expensive and can be very functional for any bicycler.

他们不是那种价格昂贵而且非常实用，可对任何bicycler。

This paper presents the boundary value problem solved as the biharmonic equation of upper plane and strip domain with Green functional method and it deals with the numerical solution of bihormonic equation, using the Matlab program calculation to realize the visualization of numeric solution.

用Green函数法求解了区域为上半平面和带形区域的双调和泊松方程的边值问题；以及探讨了双调和方程的数值解，并用Matlab编程计算实现了双调和方程数值解的可视化。

The multi-functional BINNEY Winery store will become a high-class, most widely distributed, and international chain store dedicated for sale of Australian wines. Its mission is to make consumers buy wines in a convenient and fashionable way "just like buying birthday cakes."

宾尼酒庄集多种功能服务于一体，打造高品位的国际品牌连锁专卖店，成为中国分布最广的澳洲红酒展示窗口，让更多的消费者直接分享到"像卖生日蛋糕一样"的便利和时尚。

What was it that made you want to change sider ?

是什么使你临阵倒戈？

I don't know what he wants, but let's play along with him.

我不知道他要干什么，可我