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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。

At the sametime, to resolve the problem of inferior sense of reality in traditional visual system of automobilism simulator, author added Shader based on Cg Language, and created lifelike water surface effect, multi-resolution texture effect and other special effects, which strengthened screen quality of the whole scene.This automobilism simulator realized simulation experiment on non-level roadbed. On one side, it improved its dynamics model to fit various kinds of roadbeds;and on the other side, it improved its visual simulation system, which could accord with training demands and satisfy requirements of society.

汽车驾驶模拟器新一代实时视景系统所生成的具备虚拟现实特点的交通场景,增强了仿真试验环境的效果,而它所实现的路面几何和物理属性的探测,解决了非水平路面汽车动力学模型的路面输入问题,为实现汽车动力学仿真奠

The simultaneity use of Xiao Er Chuan Ke Ye and Cang Er Zi San intervening asthma and allergic rhinitis,comparing simply use Xiao Er Chuan Ke Ye,has the predominance in prolonging time of introducing asthma and reducing the frequency of nodding breathe,which indicated that the treatment of allergic rhinitis has great importance in asthma control and lessen the degree of asthma(frequency of rat nodding breath).3,The combination high-dose group has better therapeutic effect than dexamethasone group,all Chuan Ke Ye groups and combination low,medium group in the prevention and control of allergic rhinitis symptoms,reduced airway hyper responsiveness,while in improving breath difficulties combination high-dose group has similar effect with western medicine group,and better effect than all Chuan Ke Ye groups and combination low,medium group.Its efficacy increased with the prolonging of treatment time,but fewer side effects,which makes the application safer and more reliable.4,Xiao Er Chuan Ke Ye combining with Cang Er Zi San can obviously improve the pathological changes in rats with bronchial airway remodeling,reducing the serum TGF-β1,IL-4,ECP levels,increasing the level of serum IFN-γand the imbalance IFN-γ/ IL-4 ratio.

而运用小儿喘咳液合苍耳子散同时干预哮喘与过敏性鼻炎,较之单纯使用小儿喘咳液治疗哮喘,其在延长引喘时间、减少点头呼吸频度等方面有明显的优势,说明过敏性鼻炎的治疗,对于控制哮喘发生,减轻哮喘发作的程度,有着重要的意义。3、大剂量的合方在预防和控制过敏性鼻炎症状、降低哮喘气道高反应性方面疗效较地塞米松对照组、喘咳液各剂量组及合方小、中剂量组更优,而改善呼吸困难方面则与西药组相当,优于喘咳液各剂量组及合方小、中剂量组,且其疗效随着治疗时间的延长而增加,但副作用更少,使用更加安全可靠。4、小儿喘咳液合苍耳子散能明显改善气道重塑大鼠支气管的病理改变,同时降低血清TGF-β1、IL-4、ECP水平,提高血清IFN-γ水平及失衡的IFN-γ/IL-4比值。

With the electrical connections at the top and bottom side of the wafer-level IC packaging Lead-frame structure and composition of the surface-mount semiconductor package structure Multi-layer printed circuit board Antifuse and its formation method and with the anti-fuse non-volatile memory device unit cell Tandem electric signal processing circuit and electronic device Light-emitting diode packaging structure and encapsulation method Electronic Packaging Structure Flip-chip high-speed optoelectronic components and structure Pairs of piezoelectric friction side by side to promote the three-step device and scanning probe microscope Light-emitting diode and its manufacturing method, the production base of light-emitting diode method Three or four parallel advance of stepping piezoelectric device and scanning probe microscope lens body Silicon substrate and its manufacturing method Semiconductor device and voltage-divider A polysilicon layer and the microcrystalline silicon layer of the double-substrate active layer structure, methods and devices The edge of the thickness of silicon controlled Of a lateral semiconductor devices and high-voltage devices With a vertical-channel transistors semiconductor device Of a memory array and for the manufacture of a memory array method Read-only memory cell array structure Active-matrix substrate and display device High-voltage semiconductor integrated circuit devices, dielectric isolated type semiconductor device Image sensing devices Lens module and its manufacturing methods Solid-state imaging device and camera Injection angle for the trench isolation Organic Light-Emitting Display Device Organic light-emitting display device Bipolar transistor structure of the surface passivation Double-triggered silicon-controlled rectifier HFET Metal-oxide semiconductor transistors Self-aligned trench accumulation mode field effect transistor structure Thin-film transistors and Display Devices TFT Lead Diode Low-frequency, low noise, low-flashing diode Used for thin-film solar cells trap light structure Transparent sun solar cells Quaternary semiconductor heterojunction photovoltaic cells heat Si nano-pillar array heterojunction thin-film solar cells GaN-based micro-composite solar cells isotope Optical sensor Semiconductor by optical components Imaging Detector Transparent conductive oxide coating Silicon-based high-performance dual-junction solar cells Thin-film solar cells Alien LED Devices

非专业,不在行,求高手帮忙。谢谢!具有顶部及底部侧电连接的晶片级集成电路封装导线架结构及其构成的表面黏着型半导体封装结构多层印刷电路板反熔丝及其形成方法和具有该反熔丝的非易失性存储器件的单位单元串联用电式信号处理电路及电子装置发光二极管的封装结构及其封装方法电子封装结构高速光电组件及其芯片倒装结构双压电体并排推动的三摩擦力步进器与扫描探针显微镜发光二极管及其制作方法、发光二极管的底座的制作方法三或四压电体并行推进的步进器及其扫描探针显微镜镜体硅衬底及其制造方法半导体装置与分压电路具多晶硅层及微晶硅层的双底材主动层结构、方法及装置硅晶片的受控边缘厚度一种半导体横向器件和高压器件具有垂直沟道晶体管的半导体器件一种记忆体阵列及其用于制造一记忆体阵列的方法只读内存单元阵列结构有源矩阵基板和显示装置高耐压半导体集成电路装置、电介质分离型半导体装置图像感测装置透镜模块及其制造方法固态成像装置和照相机用于沟道隔离的斜角注入有机电致发光显示装置有机发光显示装置双极晶体管的表面钝化结构双触发型可控硅整流器异质结场效应晶体管金属氧化物半导体晶体管自对准沟槽累加模式场效应晶体管结构薄膜晶体管及显示器件薄膜晶体管无铅二极管低频、低噪音、低闪烁的二极管用于薄膜太阳电池的陷光结构透明遮阳太阳能电池片四元半导体的异质结热光伏电池硅基纳米柱阵列异质结薄膜太阳能电池氮化镓太阳能同位素复合型微电池光学传感器半导体受光元件成像探测器透明导电氧化物涂层硅基高效双结太阳能电池薄膜太阳能电池异形LED器件

Of altruistic preference make trust behavior is shown optionally " people on one's own side " with " alien " dichotomy phenomenon, the individual is right " people on one's own side " complex is stronger, circle of people on one's own side jumps over small; and trustful mutual benefit foundation makes 2 rank belief is having decisive effect to be being built trustfully.

利他偏好的选择性使信任行为表现出"自己人"与"外人"的两分现象,个人对"自己人"情结越强,自己人圈子越小;而信任的互利基础使得二阶信念对信任的建立起着关键性的作用。

Result shows that the baffle of burner has very little influence on the total resistance characteristic; both the speed of rich side and lean side are affected by the angle of burner as a whole, furthermore, the lean side is influenced more greatly; the separation performance could be enhanced with the increase of burner's angle and the best separation effect could be acquired when the three baffles are dissymmetrically arranged.

结果表明,燃烧器挡板角度的调整对燃烧器的总体阻力特性影响很小;燃烧器挡板偏转对于燃烧器整体以及浓淡两侧的气流速度都有一定的影响,且对淡侧影响较大;燃烧器的浓淡分离效果随挡板偏角的增加而显著增加,且三挡板非对称布置的浓淡分离效果最好。

The properties of the combustion products have a significant effect on the heat transfer rates on the hot gas side and the properties of the coolant have a significant effect on the coolant side film coefficient.

性能燃烧的产品有重大影响的传热速率对热气体方面和性能的冷却剂有重大影响冷却剂膜侧系数。

The capacity of single pile will enhance when the length and diameter of pile increases, but effect of pile diameter is more obvious. While pile diameter increases 20、40 and 60 percents, the capacity of pile will enhance 20.4、53.7 and 78.1 percents. And with the effect of mud-cake, the capacity of single bored pile will fall down nearly 20 percents, and pile-side resistance will also reduce 15 — 35 percents. In the centrifuge tests, when the relative displacement between pile and soil was 45 —85mm, which is much more than the criterions, the pile-side resistance will become most. Meanwhile the intenerated value of utmost resistance is close to the resistance in situ. In the pile group tests, the capacity of pile group , which the space among piles increases from 2D to 3D、 4D and 5D , will enhance 6.1、9.6、18 percents .

当桩径增加20%、40%、60%时,桩承载力分别增长了20.4%、53.7%和78.1%;在考虑泥皮效应后单桩侧摩阻力减小15~35%,极限承载力减小18%~24%,且减小率随桩径的增加而变小;试验中桩身侧阻软化值与原型桩实测侧阻软化值接近,且极限侧阻所对应的桩土相对位移试验要比规范值大得多,约为45~85mm;同时群桩极限承载力随桩距的增大而增加,其中桩距为3D、4D、5D的群桩承载力分别比间距为2D的群桩高6.1%、9.6%和18%;其承载力效应系数η接近或大于1,并随着桩间距的增大而不断提高;群桩侧摩阻力沿深度的分布与单桩略有不同,即桩身上部由于承台的作用,侧阻削弱,但桩身中部侧阻具有增加的趋势。

This means that the alveolar bone at lingual side contributed similar effects on the mobility of incisor to that at facial side, and the effect of alveolar bone of mesial side was also similar to that at distal side.

即上颚犬齿在近心侧齿槽骨缺损与远心侧齿槽骨缺损时对牙齿动摇度的影响相当,且舌侧齿槽骨缺损对牙齿动摇度的影响和唇侧齿槽骨缺损时相同。

The folder is characterized in that two penholders are arranged on the outer side of the folder plate; two slideways with clips are arranged on the inner side of the folder plate; the slot is opened [3.1 disposed] between the two slideways; the rotating base is arranged at the bottom of the folder plate; and the digital watch is mounted on the right side of the folder plate. The book folder has the beneficial effect that the teacher can conveniently use the book folder in class, thus helping the teacher control the teaching time and keep record.

本实用新型属于书夹,特别涉及一种教案书夹,这种教案书夹,由夹子、滑道、书夹板、凹槽、电子表、笔筒、旋转底座组成,其特殊之处是:书夹板两外侧有两个笔筒,内侧有两个带夹子的滑道,中间有凹槽,底部有旋转底座,电子表装在书夹板的右面,本实用新型的有益效果是:老师讲课使用方便,有利于老师控制课堂讲课时间和记录。

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Breath, muscle contraction of the buttocks; arch body, as far as possible to hold his head, right leg straight towards the ceiling (peg-leg knee in order to avoid muscle tension).

呼气,收缩臀部肌肉;拱起身体,尽量抬起头来,右腿伸直朝向天花板(膝微屈,以避免肌肉紧张)。

The cost of moving grain food products was unchanged from May, but year over year are up 8%.

粮食产品的运输费用与5月份相比没有变化,但却比去年同期高8%。

However, to get a true quote, you will need to provide detailed personal and financial information.

然而,要让一个真正的引用,你需要提供详细的个人和财务信息。