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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。

Big bitmaps will confine to the entire area of this control with a vertical scroll bar on Right side ( the scroll bar will be displayed if the height of the image is greater than the height of this control) and a horizontal scroll bar at the bottom of this control (the scrollbar will be displayed if the width of the image is greater than the width of this control).

大位图将只对本一份关于右侧垂直滚动条控制整个地区（滚动条将显示，如果图片的高度大于这个控件的高度）和水平滚动条的底部此控制（滚动条将显示，如果图像的宽度大于这个控件的宽度更大）。

Through the research of direct search method based on 3D FEM, and its application for the tunnel slope stability analysis, the objectives of this work in this paper are as follows:1. The dynamic programming as well as its application for 3D side slope stability analysis is studied. With the introduction of graph theory concept, one kind of glide pattern of 3D slope is constructed, and the critical slip surface with smallest safety factor is searched with the aid of one auxiliary function including safety factor;2. Using the C++ programming language, the 3D slope stability analysis and the direct search procedure is established, and this method is testified applicably by some contrast analysis, also some influence factor in analysis is discussed;3. Integrated with the different actual situation in tunnel slope, considered its excavation, timbering and rain infiltration, its stability influence and rule is researched used this method, also some processing measure is proposed.

本文通过对三维有限元直接搜索法的研究，并将其应用于隧道边坡的稳定性分析中，主要的研究内容有：1、研究了动态规划原理及其在三维边坡稳定性分析中的应用，引入图论概念，构筑出一种边坡三维滑裂面的滑动模式，借助一个包含安全系数的辅助函数并通过动态搜索求得临界滑裂面与最小安全系数；2、采用C++程序设计语言，编制出边坡三维稳定性分析以及直接搜索法的程序，通过一些算例的对比分析，验证本文方法的适用性，并讨论了三维分析中的一些影响因素。3、结合隧道边坡的不同实际情况，考虑施工开挖过程、衬砌结构及降雨渗流等方面的因素，利用本文方法研究对其稳定性的影响和规律，并提出处理措施

It is a pity," I went on, with an amused laugh, as the thought occurred to me,"that this Bellford and I could not be kept side by side upon the same shelf like tartrates of sodium and antimony for purposes of identification.

由于想到了这个想法，我好笑接着说：&遗憾的是这个贝尔福德和我不能像酒石酸锑钾和酒石酸钾钠一样为了辨认的目的并排放到同一个架子上。&

Side side studios also believe that the current government is out of the real estate market strong regulatory capacity, already made "house not big" goals can certainly be achieved, Shanghai's real estate market this year can not be achieved double-digit increases, but due to the first quarter rising too fast and has more than double-digit, so the price will have to be reduced next.

方方工作室也认为，出于当前政府对于房地产市场强大的调控能力，已经提出的&房价不能大起大落&的目标一定会实现，今年全年上海的房地产市场升幅不可能达到两位数，但是由于第一季度涨的太猛，已经超过两位数，所以接下来的房价肯定要下调。

Twin spindle simultaneous machining, two or more parts machined at the same time; quick workpiece changing table, minimize the machine idle time to seconds; integrated workpiece swivel table at each side for multi side machining; patent Basket type tool magazine, incredible 2.1sec chip-chip tool changing time; hydraulic fixture machine preparation-----Thanks to this talent design, DZ15W Magnum becomes the best choice of high volume production.

双主轴同步移动，一次加工两个零件或更多；双交换工作台，将停机时间降至最低；双侧工作台均配置集成式转台，实现一次装夹四面加工；专利设计的篮式刀库，屑-屑换刀尽需2.1秒；预装液压夹具接口―――得益于如此天才的设计，DZ15W Magnum得以不辱使命。

This invention discloses an IC phone communication method based on the FSK mode including: loading and transmitting ciphered sequences, ciphered card information, called number information and other interaction information between an IC terminal and a process platform in the mode of FSK information, in which, the platform authenticates the authority and charges, if the deduction at the IC terminal is correct, then it sends signals of anti-stealing making phone calls periodically to the platform, which differentiates the correctness of the signals, if they are wrong, it releases the call, when the communication is finished and the calling rings off first, the platform receives the identification signals of the ring-off of the calling to cut off the call of the called side and release the voice channel between the platform and the called side, then processes balance information and releases the call finally.

本发明公开了一种基于频移键控方式的IC卡电话通信方法，其主要方案是IC卡终端与处理平台之间通过FSK信息方式承载和传输加密序列、加密卡信息、被叫号码信息及其它交互的信息，由处理平台进行鉴权和计费；如果IC卡终端扣费正确则周期性向处理平台发送防盗打信号，处理平台鉴别防盗打信号的正确性，如果错误则释放呼叫；当通信结束后主叫先挂机时，处理平台收到主叫挂机标识信号后首先切断被叫侧的呼叫，释放处理平台与被叫侧之间的话路，然后再进行余额信息的处理和最后释放呼叫。使用本发明提出的方法，使得IC卡终端与处理平台之间的信息交互流程更加简单、清晰，提高了信息交互效率，并能及时释放话路，节约中继资源。

With this recording, two of pow-wow's most popular groups, one a Northern style group and another singing in the style of the Southern Plains are featured side by side.

在这个专辑里，印第安歌舞界最受喜爱的两个乐组 Northern Cree和 Young Bird，一个以北方风味、一个以南部平原的演唱风格，同台献艺。

This program provides a thorough background of both the air side-related directly to the movement of aerial vehicles-and the support side, dealing with all the activities necessary for safe, efficient and profitable operations of the entire transportation system....

这个程序提供了两种空气侧彻底的背景有关的，直接向空中车辆和支持中方的运动，所有与整个交通系统安全，高效和盈利的业务活动提供必要的处理。。。。

Everything seems to be done by drifting the sights from side to side, and possibly by elevating and lowering a separate rear sight blade, though I'm not fully aware of how it works at this time.

一切都显得所做的漂流景点，以方一侧，并可能通过提高和降低一个单独的表尺刀片，虽然我不完全如何在这个时候意识到工程。

But we don't care about Battlegrounds.

但我们并不在乎沙场中的显露。

Ah! don't mention it, the butcher's shop is a horror.

啊！不用提了。提到肉，真是糟透了。