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In this thesis,based on the DFT+NEGF first-principles method,we construct a lead-molecule-lead sandwich system with single benzene-based molecule to investigate the relationship between the structure and properties of the molecular devices and the factors that influence properties of the molecular devices.Our computational investigations on these molecular devices are primarily concentrated on the effect of contact geometry between molecules and electrodes,the effect of side groups,the effect of different torsion angle between two phenyl rings and the effect of external electric field.This thesis consists of five chapters:In Chapter one,we mainly introduce the research background and development of the molecular electronics,including the experimental fabrication of molecular electronic components and theoretical simulation methods.Afterwards we discuss the questions that need to be solved in this area.Finally,the main contents of this thesis are listed.In Chapter two,we introduce the theoretical methods used in this thesis, including the main first-principles calculation methods,i.e.,the Density-Functionmethod and nonequilibrium Green\'s function.

本论文拟采用密度泛函理论和非平衡格林函数相结合的第一性原理计算方法，选取苯基小分子作为研究对象，构建了金属电极/有机小分子/金属电极三明治结构体系，系统地研究了苯基分子器件结构的改变与分子电输运性质之间的关系以及影响分子器件电输运性质的相关因素，其中重点研究了分子与电极间可能的接触结构改变、官能团、分子间的扭转角以及外电场对苯基分子电输运性质的影响，本论文主要包括以下五个章节的内容：第一章为综述部分，主要介绍了分子电子学产生的背景、分子器件的研究意义、当前研究分子器件的实验和主要理论方法，以及目前在研究分子器件中存在的一些问题，最后给出了本论文的主要研究内容和技术路线。

A: bookbiding with microtensile approximately150, source, or more or less extensive, there are several categories of animal husbandry, starch base class, qula class, natural resin, celluolse and artificial synthetic resin, etc.

答：装订用黏结材料种类很多，来源极为广泛，大致有以下几大类，即动物类、淀粉基类、干酪素类、天然树脂类、纤维素类和人工合成树脂等。

Methods The optical calculation was taken as the following by using the parameter of Gullstrand model eye:①The refraction of silicone filled eye in non-accommodative status;②The refraction of silicone filled eye in non-accommodative status;③The aniseikonia analysis when one eye filled with the silicone oil;④The IOL power re-calculation.

采用Gullstrand模型眼参数进行以下分析：①非调节状态下正常眼球与硅油填充后眼球的屈光状态；②调节状态下正常眼球与硅油填充后眼球的屈光状态；③无晶状体眼玻璃体腔填充后的屈光状态；④正常眼球与填充硅油后视网膜像放大率变化；⑤硅油填充后的白内障人工晶状体植入术人工晶状体度数的变化。

Other Ingredients 其它成分: Glucose syrup, sucrose, apple pectin, fumaric acid, citric acid, lactic, acid, natural flavors and colors added (vegetable juice concentrate, annatto and tumeric).

专有配方以下水果和蔬菜精矿：苹果纤维，芒果，草莓，番茄，胡萝卜，木瓜，野生蓝莓，冰樱桃，蔓越莓，香菜，菠菜，羽衣甘蓝，卷心菜，花椰菜，青花菜

When one is announcing the following will that I have written, I would have rested heavenly in peace.

当以下由我所写的遗嘱被宣读时，我就在天国安息了。

The next five members of Saros 136 were all annular eclipses; the duration of annularity steadily decreased with each eclipse as the Moon passed progressively closer to Earth.

沙罗136中以下五次都是日环食；当月球日益靠近地球，环食稳定持续时间减少。

Under the condition, the anolyte of Na2FeO4 in the concentration range from 0.39-0.47mol/L could be obtained by electrolyzing the iron anode in 16mol/LNaOH solution during 4-6h in the temperature of 308K.

通过研究固体和液体高铁酸盐以及它们的绿色分解产物的化学以及电化学性能，得出以下结论：一、当FeO_4~(2-)溶液的碱浓度越小，加热温度越高时，生成绿色溶液的时间越短。

Facing moral anomalism, we can adopt this four methods to correct it: strengthen the function of UN and other international organization, strenthen the function of international laws and rules, strenthen diague between the north and the south, and finally, set a good example of elites

可以通过以下几种方式来进行重建工作：强化联合国及其它国际组织的作用、加强国际法和国际规则、国际惯例的作用、加强南北对话，树立精英人物的榜样作用。

Conditions. For this to work, the option write_enable must be activated, and the anonymous ftp

如果设置为YES，匿名用户将被允许创建新的目录，以下条件必须满足：write_enable 选项

This fault is described below: In some conditions, the offer/answer signaling for media negotiation will be unmatched. Present paper also analyzes present solution and point out its drawback. Proposing a new solution resolving the problem that offer/answer is unmatched in original offer/answer mode of early media negotiation. This solution resolves the problem from two aspects including SDP message content and SIP signaling integrity.

本文贡献可归纳为以下几个方面：(1)分析了IMS系统中多实体会话建立的信令流程，并对其中早期媒体协商的过程进行了研究，发现了原SIP规范所提供的媒体协商所使用的提供／应答模式应用在早期媒体中的缺陷：在某些情况下，用于进行媒体协商的提供／应答信令出现不匹配情况。

We have no common name for a mime of Sophron or Xenarchus and a Socratic Conversation; and we should still be without one even if the imitation in the two instances were in trimeters or elegiacs or some other kind of verse--though it is the way with people to tack on 'poet' to the name of a metre, and talk of elegiac-poets and epic-poets, thinking that they call them poets not by reason of the imitative nature of their work, but indiscriminately by reason of the metre they write in.

索夫农 、森那库斯和苏格拉底式的对话采用的模仿没有一个公共的名称；三音步诗、挽歌体或其他类型的诗的模仿也没有——人们把&诗人&这一名词和格律名称结合到一起，称之为挽歌体诗人或者史诗诗人，他们被称为诗人，似乎只是因为遵守格律写作，而非他们作品的模仿本质。

The relationship between communicative competence and grammar teaching should be that of the ends and the means.

交际能力和语法的关系应该是目标与途径的关系。