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The supermolecule system building on the weak interactions between molecules has always been the focus on chemistry , bionomy , material science and informatics theoretically and experimentally . However , because the experiments fail to provide varied information in detail .

通过分子间弱相互作用构筑的超分子体系一直是化学,生命科学,材料科学,信息科学领域在理论和实验上的研究焦点,但对于分子间的相互作用体系,实验研究不能提供十分详细的各种信息,所以量子化学计算在补充其结构,能量,光谱等信息上有着重要的意义。

We have analyzed the interaction between lightwave and microwave in polymeric electrooptic modulators. Local poling structure was suggested to apply to the waveguide modulators, which will enhance the interaction between lightwave and microwave and improve the modulation efficiency considerably. In addition, instead of the coplanar electrode, the microstrip line was proposed to be the modulating electrode.

对有机聚合物电光波导调制器中光波与微波的相互作用进行了分析,提出利用局域极化结构可使在光波导中传播的光波与调制微波间的相互作用明显增强,与传统的使用平面电极的电光波导调制器进行了比较,调制效率增强一倍以上。

Results In CZE, the peak width broadened due to the affinity interaction between natural products and thrombin. Compared with positive and negative control, the natural products (CB-1, CB-2) from Coreopsis tinctoria Nuttt. interacted with thrombin; CB-3 from Coreopsis tinctoria Nuttt. and HC-1, HC-2, HC-3 from Cistanche deserticola Ma. did not bind to thrombin. Both qualification and quantification characterizations of the binding were determined.

结果与阳性对照和阴性对照相比,蛇目菊中的提取物CB-1, CB-2与凝血酶有相互作用,并计算得到了CB-1,CB-2和凝血酶的结合常数;蛇目菊中的提取物CB-3和肉苁蓉中的HC-1, HC-2, HC-3与凝血酶没有相互作用。

Second, the van der Waals type cubic equation of state was used to calculate the critical pressure of the binary systems. By introducing the temperature and acentric factor into the mixing rule of attractive part of the equation of state, a new expression was set up.

对实验数据和文献数据的计算结果令人满意,并按照无约束条件最优化得到了相互作用参数表达式的系数值,更加说明本文建立的相互作用参数表达式是正确的和有一定理论基础的。

Compared to NMR techniques, the fluorometric analysis method revealed that there are not only obvious interactions of quinoline or its derivates and cucurbit [ 7 ] uril, but also interactions of quinoline or its derivates and cucurbit[6]uril or cucurbit[8]uril which can not be observed by using ^1H NMR technique.

与核磁共振技术比较,荧光光谱分析方法具有高灵敏性的特点,不仅可观察到喹啉及其衍生物与七元瓜环相互作用而引起的荧光性质变化;还能观察到它们与六元瓜环或八元瓜环相互作用所产生的变化,这是通常的NMR方法所不能实现的。

On the other hand, the DM interaction is favor for dimerization when DM interaction depends on the dimerization in period.

接著计算了开链条件下DM相互作用对晶格畸变不同依赖程度时,对系统二聚化的影响,发现DM相互作用在某一个特殊的点处,对系统的二聚化都没有影响,并且在这个特殊的点两边呈现出不同的变化趋势。

The contributions of spin doublets for the ground-state energy levels were studied.The results show that the contribu...

在此基础上,进一步研究了自旋-自旋相互作用对红宝石晶体的光谱精细结构和零场分裂参量的影响,发现自旋-自旋相互作用对零场分裂参量的影响是不可忽略的。

In long wave limit, these elliptic function wave patterns may degenerate into single valued localized excitations dromion and multi-lumps.

椭圆函数传播波之间的相互作用是非弹性的,而在长波极限下相应相干孤子激发Dromion,Lumps之间的相互作用可以是弹性的,也可以是非弹性的。

One feature of themethod is that it uses two parameter to interrelate the polaron andmagnetic field counterparts of the system.

这种方法的一个特点是将电子—声子的相互作用和外加磁场分别采用一个参数来表示,在强磁场或强电子—声子耦合的极限下,其中的一个相对于另一个占主要地位;在一般状态下,它们是相互作用、相互竞争的两个方面。

The aforementioned active substances may be destabilised by the environmental factors, their degradation may also be accelerated by interactions with other pharmaceutical ingredients, such as fillers, binders, lubricants, glidants and disintegrating agents, therefore the pharmaceutical ingredients and the process for preparation of the pharmaceutical formulation should be meticulously chosen to avoid the aforementioned undesired interactions and reactions.

上述活性物质可由于环境因素而不稳定,它们的降解也可通过与其它药物成分如填充剂,粘合剂,润滑剂,助流剂和崩解剂相互作用而加速,因而,制备药物配方的药物成分和方法应非常细致以避免上述非所需的相互作用及反应。

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According to the clear water experiment, aeration performance of the new equipment is good with high total oxygen transfer coefficient and oxygen utilization ratio.

曝气设备的动力效率在叶轮转速为120rpm~150rpm时取得最大值,此时氧利用率和充氧能力也具有较高值。

The environmental stability of that world - including its crushing pressures and icy darkness - means that some of its most famous inhabitants have survived for eons as evolutionary throwbacks, their bodies undergoing little change.

稳定的海底环境─包括能把人压扁的压力和冰冷的黑暗─意谓海底某些最知名的栖居生物已以演化返祖的样态活了万世,形体几无变化。

When I was in school, the rabbi explained everythingin the Bible two different ways.

当我上学的时候,老师解释《圣经》用两种不同的方法。