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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。

Result In peanut seedling stage, spraying 900 ml/hm^2 quizalofop-P-ethyl EC on the grass weeds such as Barnyard grass, Green bristlegrass and Goosegrass had 100% control effect, but it had a poor control effect on some broad-leaved weeds. While, spraying 600 and 720 ml/hm^2 quizalofop-p-ethyllactuofen EC had remarkable effects not only on the grass weeds such as B. grass but also on the broad-leaved weeds such as Purslane, Cirsium setosum and Dayflower, with the control effect of more than 80%. Both of the 2 herbicides would not produce some slight contact drug spots on the part of peanut leaves and the drug spots on the leaves could be recovered in 1 to 2 weeks, which couldn't affect the growth and yield of the peanut in middle and late stage. So the 2 herbicides had good selectivity.

结果］在花生苗期喷施900 ml/hm^2精喹禾灵乳油对稗草、狗尾草、牛筋草等禾本科杂草具有100%的防效，但对一些阔叶杂草防效较差，而喷施600和720 ml/hm^2精喹乳氟禾乳油则除了对稗草等禾本科杂草有特效外，还对马齿苋、刺儿菜、鸭跖草等阔叶杂草具有显著的防效，均达80%以上。2种除草剂均对花生叶片局部产生一些轻度的接触性药斑，药斑在12周内可恢复，不影响花生的中后期生长及产量，具有很强的选择性。

If any of your friends in your contact list make a new friend, then you will be notified with the message above in your news feed when you log in to Facebook.

如果您有任何的朋友，您的联系人列表做出新的朋友，那么，你一定会通知与上述讯息，在您的新闻饲料当您登录到Facebook的。

The UV and IR spectroscopic studies of the monomer films showed that the photoreaction ratio of monomer (about 50%) was higher than the corresponding photosensitive polymer (about 10%, PVCi). The polarized IR spectra proved that obvious anisotropic absorption was displayed in the irradiated photosensitive film. With polarizing microscopy method, we found that these kinds of photoalignment films exhibited good alignment ability, and the stability of the photoalignment film could reach about 100℃. 2 A photosensitive self-assembled monolayer was fabricated that contained photo-cycloadditable groups, such as, coumarin and cinnamate. The reaction process were detected by contact angle method because the IR absorption of monolayer was very weak. The photosensitive self-assembled monolayer promote uniform alignment of nematic liquid crystals by LPUV, and it thermal stability could reach about 130℃. 3 A cationic bolaform amphiphiles was synthesized that had two photosensitive double bonds, and can be polymerized by ultraviolet. A layer-by-layer self-assembled deposition film was prepared in aqueous solution by using this material and poly (sodium 4-styrenesulfonate). The UV-Vis. spectra proved that the multilayers film was uniform and layer-by-layer. When LPUV irradiated the film, the photopolymerizable double bond underwent [2+2] cycloaddition, and the production of the reaction distributed along the polarized direction of incident LPUV. Polarized UV-Vis. spectra indicated that the irradiated self-assembled multiplayer film was anisotropic, and the dichromic ration is about 0.09, it is higher than the spin-coating method of photosensitive polymer or monomer. We used this anisotropic film as alignment layer of nematic liquid crystals, and obtained a uniform and stability alignment result, the static contrast ratio is about 100, which is very close to application of liquid crystal device. This thesis is an instance that the photochemical material was used in the physics region of liquid crystals, the route that was from photosensitive monomer, self-assembled monolayer film to self-assembled multiplayer film was undergone, by this logical research method photoailgnment of liquid crystal was extended and consummated.

围绕上述思路开展了如下工作：1合成了三种可进行光二聚反应的光敏小分子单体，LPUV 辐照制作了光控取向膜；用紫外-可见光谱法和红外光谱法分析了薄膜中的光化学反应，发现小分子的光反应程度可达到50%以上，至少比光敏高分子高出5倍；薄膜的偏振红外光谱证实，经过LPUV 辐照后薄膜出现了明显的各向异性；将小分子光控取向膜制成液晶器件，在偏光显微镜下观察看到均匀一致的液晶取向；并且热稳定性达到100℃左右，接近实用化要求。2制备了含肉桂酸、香豆素基团的自组装单层膜；采用接触角的方法监测自组装反应的动力学过程；紫外-可见光谱证实了自组装单层膜在石英基板表面形成；自组装单层膜经LPUV 辐照后能诱导液晶均匀取向，而且热稳定性可达130℃，热稳定性进一步提高。3合成了含有光敏双键的双季铵盐，在水溶液状态下将它和聚乙烯基苯磺酸钠沉积生成layer-by-layer 自组装多层膜，紫外-可见光谱证实这是一个逐层均匀的沉积；在LPUV 照射下，自组装膜中的光敏双键按照偏振方向发生[2+2]环加成反应，形成取向膜，用二向色性值评价的分子取向度高于高分子及小分子光控取向膜的水平；实验证明用自组装多层膜制成的液晶器件亮暗态均匀，静态对比度约为100，达到实用化器件的水平。

3D-TOF-MRA appeared to be the best imaging test for the pathogenesis of HFS now. The major causes of HFS might be different neurovascular compressions in the REZ of the seventh cranial nerve, with real compression, entrapping or tight contact.

研究提示，3D-TOF磁共振血管成像为目前面肌痉挛病因诊断的最佳影像检查方法，HFS的主要病因为患侧面神经根部受血管压迫、包绕或与其紧密接触。

Personal information: Name: 000 0 gender, age 00, National: Han; Political landscape: members; Health: good; Graduate institutions: 0000000; post Industry: landscape; The second profession: none; Intention job: foreign trade, customs declaration and other related jobs; Contact: Phone 0000000, Address: 0000000000000 Education notes: 00000000000000 Personal: specialties: landscape; professional skills: computer familiar with the office, CAD, PHOTOSHOP, 3D, SKETCHUP software, and so on, the customs declaration adopted by the Examination; English language: English University 4 000 points, 000 points 6 College English; Computer: National Computer Rank Examination II C Love: love laugh; like the exchange; like to help others; like to have a more difficult challenge of the work; Practical experience: 0000 -0000, he served as a private tutor; in August 2006 school term weekly English publisher; in July 2008 on -8 in the 0000's internship Awards :2006-2007 to obtain first-class scholarship for outstanding students; 2006-2007 was "Miyoshi students," the title; in 2006 by school essay competition awards outstanding; College in 2006 was the third Games Self-evaluation: I am optimistic about the easy-going, likes to help others, good at communication and be able to assume greater work pressure, there is a strong sense of professionalism and responsibility and teamwork ability to quickly adapt to the environment.

个人信息：姓名：000 性别0，年龄00，民族：汉；政治面貌：团员；健康状况：很好；毕业院校：0000000；专业：园林；第二专业：无；求职意向：对外贸易，报关员等相关职位；联系方式：电话0000000，地址：0000000000000 教育简历：00000000000000 个人能力：所学专业：园林；专业技能：熟悉计算机office，CAD，PHOTOSHOP，3D，SKETCHUP等软件，通过报关员统一考试；英语能力：大学英语四级000分，大学英语六级000分；计算机能力：全国计算机等级考试二级C 爱好：喜欢笑；喜欢交流；喜欢帮助别人；喜欢挑战有难度的工作；实践经验：0000年-0000年任私人家教；2006年8月任学校英语周报发行人；2008年7月-8月在0000公司实习获奖情况：2006-2007年获得一等优秀学生奖学金；2006-2007年获得&三好学生&称号；2006年获校征文比赛优秀奖；2006年获学院运动会第三名自我评价：本人乐观随和，喜欢助人，善于交际，能承担较大的工作压力，有很强的事业心、责任感和团队协作能力，能快速适应各种环境。

Job Resume Personal Information: Name Gender Age The nation: Han; Political landscape: Members; State of health: good; Graduate institutions: 0000000; Professional: Garden Second professional:No Intention job: foreign trade, customs declaration and other related jobs; Contact: Phone 0000000, Address: 0000000000000 Aducation curriculum vitae: Personal capacity: Specialties: landscape; Professional skills: computer familiar with the office, CAD, PHOTOSHOP, 3D, SKETCHUP software , The customs declaration adopted by the Examination; English language: English University 4 000 points, 000 points 6 College English; computer: National Computer Rank Examination II C- Loving: like laughing; like the exchange; like to help others; like to have a more difficult challenge of the work; Practical experience: 0000 -0000, he served as a private tutor; in August 2006 school term weekly English publisher; in July 2008 on -8 in the 0000's Award-winning practical situation :2006-2007 to obtain first-class scholarship for outstanding students; 2006 -2007 Year,"Miyoshi students," the title; in 2006 by school essay competition awards outstanding; School Games in 2006 was the third Self-evaluation: I am optimistic about the easy-going, likes to help others, good at communication and be able to assume greater work pressure, there is very Strong sense of professionalism and responsibility and teamwork ability to quickly adapt to the environment.

给一百分帮我完整翻译简历和标题！！！！！！！！！！！！。。以前让人翻译过，发现有出入，现在再次寻求精确翻译。。奖励给100分请大家帮我翻译以下两种，急需，要精确全面，谢谢！！！！！！求职简历个人信息：姓名：000性别0，年龄00，民族：汉；政治面貌：团员；健康状况：很好；毕业院校：0000000；专业：园林；第二专业：无；求职意向：对外贸易，报关员等相关职位；联系方式：电话0000000，地址：0000000000000 教育简历：00000000000000 个人能力：所学专业：园林；专业技能：熟悉计算机office，CAD，PHOTOSHOP，3D，SKETCHUP等软件，通过报关员统一考试；英语能力：大学英语四级000分，大学英语六级000分；计算机能力：全国计算机等级考试二级C 爱好：喜欢笑；喜欢交流；喜欢帮助别人；喜欢挑战有难度的工作；实践经验：0000年-0000年任私人家教；2006年8月任学校英语周报发行人；2008年7月-8月在0000公司实习获奖情况：2006-2007年获得一等优秀学生奖学金；2006-2007年获得&三好学生&称号；2006年获校征文比赛优秀奖；2006年获学院运动会第三名自我评价：本人乐观随和，喜欢助人，善于交际，能承担较大的工作压力，有很强的事业心、责任感和团队协作能力，能快速适应各种环境。

While men might be content to "stray" by looking at porn--a relatively benign form of infidelity in the grand scheme of things--Atlanta psychiatrist Dr. Frank Pittman notes that he's observed more women acknowledging sexual affairs that began with electronic contact born out of the desire to emotionally connect with someone on a more intimate (and therefore stereotypically "feminine") level.

同时男性过于沉迷色情文学--在这一大类事上算一种相对良好的行为--亚特兰大精神病医生弗兰克-皮特曼指出他发现大多女性起初知道性事是通过网络的接触，继而希望与某人在感情接触上发展到更加亲密的程度。

While men might be content to "stray" by looking at porn--a relatively benign form of infidelity in the grand scheme of things--Atlanta psychiatrist Dr. Frank Pittman notes that he's observed more women acknowledging sexual affairs that began with electronic contact born out of the desire to emotionally connect with someone on a more intimate (and therefore stereotypically "feminine") level.

同时男性过于沉迷色情文学--在这一大类事上算一种相对良好的行为--亚特兰大精神病医生弗兰克-皮特曼指出他发现考试*大大多女性起初知道性事是通过网络的接触，继而希望与某人在感情接触上发展到更加亲密的程度。

While men might be content to "stray" by looking at porn--a relatively benign form of infidelity in the grand scheme of things--Atlanta psychiatrist Dr. Frank Pittman notes that he's observed more women acknowledging ***ual affairs that began with electronic contact born out of the desire to emotionally connect with someone on a more intimate (and therefore stereotypically "feminine") level.

同时男性过于沉迷色情文学--在这一大类事上算一种相对良好的行为--亚特兰大精神病医生弗兰克-皮特曼指出他发现大多女性起初知道性事是通过网络的接触，继而希望与某人在感情接触上发展到更加亲密的程度。

It has been put forward that there exists single Ball point and double Ball points on the symmetrical connecting-rod curves of equilateral mechanisms.

从鲍尔点的形成原理出发，分析对称连杆曲线上鲍尔点的产生条件，提出等边机构的对称连杆曲线上有单鲍尔点和双鲍尔点。

The factory affiliated to the Group primarily manufactures multiple-purpose pincers, baking kits, knives, scissors, kitchenware, gardening tools and beauty care kits as well as other hardware tools, the annual production value of which reaches US$ 30 million dollars.

集团所属工厂主要生产多用钳、烤具、刀具、剪刀、厨具、花园工具、美容套等五金产品，年生产总值3000万美元，产品价廉物美、选料上乘、质量保证，深受国内外客户的青睐