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The interactions among the three active sites---N3, 04 and 05 in the most stable conformer of glycine and the three mono-value cations--~ Li~ and Na~ are investigated at the R0B3P86/6-3 1 G* level. Their relative binding strength and the binding order are compared and analyzed when the same active site reacts with three different cations or the same cation reacts with three different active sites, respectively.

利用限制性的DFT方法和6-31G基组函数，考察了甘氨酸的最稳定构象中的三个活性位：N3、O4和O5与单价阳离子H~+、Li~+和Na~+相互作用的情况，比较分析了三活性位与同一阳离子相互作用时的相对强弱和同一活性位与三个不同阳离子作用时的成键顺序。

In this dissertation, systematic and extensive conformational search has been performed for asparagine and aspartic acid in gas phase and solution and the properties of the stable conformers are studied using DFT based first-principles calculation. The concerned properties include geometry structure, IR spectra, conformer distributions, intramolecular interactions, ionization energies and electron affinities, protonation and deprotonation processes.

在本论文中，我们对天冬酰胺和天冬氨酸在气相和溶液中的稳定构型进行了系统而全面的寻找，并研究了其稳定构型的几何结构、红外光谱、构型分布、分子内相互作用、电离能、电子亲合能、质子化和去质子化过程等相关性质。

We thorough search the stable conformers of aromatic amino acids and arginine and examine the properties of the stable conformers using ab initio and DFT methods. The properties examined include the characteristics of intramolecular interactions, IR and UV spectra, temperature dependent conformer distributions, electron attachment and ionization energies, protonation/deprotonation processes.

木论文对芳香型氨基酸和精氨酸进行了理论研究，研究的性质包括几何结构、电子结构、构刑分布、电离能和电子亲和势、质子化过程、红外谱、紫外谱以及分子内相互作用等方面。

Experimental results suggest that conjunctive tasks are better suited to promoting positive small-group interactions in Internet-based cooperative learning courses.

实验结果发现，连结式的任务能引导出较多良性的小组合作互动模式，因此适合施行於网路合作学习课程中。

Cities seperated in space are connected together by spatial interactions between them.

我国城市群在铁路客流空间相互作用的层次上所体现的空间分布和网络结构演化体现了城市群的重要方面。

The development of its theory has gone through two stages, at the first stage, its theory and practice is concentrated on the interactions of family members, and is relationship oriented; at the second stage, its theory and practice are influenced by feminism, multi-culturalism, constructivism, social constructionism and ecological systems theory, and takes on a multi-integrative characteristic.

家庭系统理论的发展经历了两个历史阶段，第一个阶段的理论和实践非常重视家庭成员之间相互作用的过程，具有关系取向的特点；第二个阶段的理论和实践因受到女权主义、多元文化主义、建构主义、社会建构论及生态系统理论的影响，呈现多元综合的特点。

The interactions between bright optical soliton and continuous wave have been studied by moment method and perturbation theory.

结果表明，连续波微扰对光纤孤子通讯系统是十分有害的，在实际通讯过程中应当尽量避免连续波的渗入。

Contradictoriness within a thing is the fundamental cause of its development, while its interrelations and interactions with other things are secondary causes.

事物内部的这种矛盾性是事物发展的根本原因，一事物和他事物的互相联系和互相影响则是事物发展的第二位的原因。

The fundamental cause of the development of a thing is not external but internal; it lies in the contradictoriness within the thing…Contradictoriness within a thing is the fundamental cause of its development, while its interrelations and interactions with other things are secondary causes.

事物发展的根本原因，不是在事物的外部而是在事物的内部，在于事物内部的矛盾性。…事物内部的这种矛盾性是事物发展的根本原因，一事物和他事物的互相联系和互相影响则是事物发展的第二位的原因。

Synthetic analysis of petroclastic rock in deep formation of Paleogene in Dongying sag show that acidic medium caused from organic-inorganic interactions and circulated convection current in abnormal high pressure formation are important factors influencing and controlling diagenesis.

对东营凹陷下第三系深部碎屑岩储层成岩作用的影响因素进行了研究，结果表明，有机无机化学反应提供的酸性水介质环境和异常压力带流体的循环热对流是影响和控制深部碎屑岩储层成岩作用的重要因素。

After explaining total design of automated test system for microcircuit , the thesis introduces GPIB standard .

文章在说明了微电路模块自动测试系统的总体设计后，对GPIB标准进行了介绍。

He interceded in my behalf.

他替我说情。