改变

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。

But the discovery of these universal ideas is only the beginning of the work of the anthropologist.

而"方法的基本改变已经兼有观点的改变，比如以前相同或相似的文化被认为无庸置疑地证明其历史的联系或者甚至共同的起源。"

The peak in 1673 〓 present antiparallel pleated sheet structure in the main chains.

反β片层结构是非常稳定的蛋白质组成方式，检测结果告诉我们，半乳糖导致白内障的发生是引起蛋白质组成的变化，而没有改变蛋白质基本的空间亚结构的改变。

It grew strength from the young people who rejected the myth of their generation's apathy ...

今天的选举胜利并不是我们所寻求的改变——这只是我们实现改变的机会。

There is up-regulation of striatum D2 receptors in lesioned side in experimental hemi-parkinsonism which show good correlation with rotation behavior induced by Apomorphine, and coincided with the pathological findings.

大鼠偏侧PD模型患侧纹状体D2受体出现上调反应，这种上调反应与APO诱导的行为学改变呈良好的相关性，与病理组织学改变相符合。

Secondly, using the relation between the weighted modified K-functional, the weighted modulus of smoothness ,the weighted main-part modulus of smoothness . we get the pointwise direct and inverse approximation theorem with Jacobi weight for Szdsz-Kantorovich operator. Thus some results on w = 0w(x denotes the weight function, Ditzian-Totik modulus and classic modulus are extend.

其次，引入一种改变的带权K-泛函，利用带权光滑模和带权主部光滑的关系及带权光滑模与改变带权K-泛函的等价性，关于Szász-Kantorovich算子，讨论了一阶矩不为零的算子的点态带Jacobi权逼近正定理及等价定理，推广了已有的权为零及Ditzian-Totik光滑模和古典光滑模的结果。

Thus, when Van Til goes on to discuss God's immutability, he bases that doctrine upon the divine aseity:"Naturally God does not and cannot change since there is nothingbesides his own eternal Being upon which he depends (Mal. 3:6, James 1:7)."(DF2, 9.) IST = Introduction to Systematic Theology

IST， 206。因此，当范泰尔讨论上帝的不变性时，他将上帝不变性的教义建立在上帝的自存上﹕「显然的，上帝不会改变，祂不能改变；因为除了祂自己永恒的存有之外，祂不靠任何其他的事物。

Thus, when Van Til goes on to discuss God's immutability, he bases that doctrine upon the divine aseity:"Naturally God does not and cannot change since there is nothing besides his own eternal Being upon which he depends (Mal. 3:6, James 1:7)."(DF2, 9.) IST = Introduction to Systematic Theology

IST， 206。因此，当范泰尔讨论上帝的不变性时，他将上帝不变性的教义建立在上帝的自存上﹕「显然的，上帝不会改变，祂不能改变；因为除了祂自己永恒的存有之外，祂不靠任何其他的事物。

As 3 board one part, new 3 board the largest window depended on changing old 3 board " ash-bin " the fixed position of type, inducted numerous hi-tech tall the science and technology that grow medium and small businesses, basically be the place that ZhongGuanCun high-tech enterprise hangs out his shingle at present, of these enterprises join in changed 3 board the adverse situation that one-way rubbish enlarge contains, rose greatly 3 board integral quality and position level.

作为三板的一部分，新三板最大的亮点在于改变了旧三板"垃圾桶"式的定位，吸纳了众多高技术高成长的科技型中小企业，目前主要是中关村高科技企业挂牌的场所，这些企业的加盟改变了三板单向垃圾扩容的不利局面，大大提高了三板整体素质和定位水平。

This paper reviews whether forward movement of the posterior corneal surface occurred, changes in posterior corneal power and curvature, changes in posterior corneal astigmatism and tilt, changes in posterior corneal asphericity and BFS after the surgery.

本文综述了准分子激光屈光性手术后角膜后表面是否发生前移改变、角膜后表面屈光力、曲率、散光度、轴度、非球面特性以及最适球面等是否发生改变的研究进展。

On the other hand, the more important thing is because the urban housing is a kind of heterogeneity products.

另一方面，更重要的是由于城市住房是一种异质性产品。

Climate histogram is the fall that collects place measure calm value, cent serves as cross axle for a few equal interval, the area that the frequency that the value appears according to place is accumulated and becomes will be determined inside each interval, discharge the graph that rise with post, also be called histogram.

气候直方图是将所收集的降水量测定值，分为几个相等的区间作为横轴，并将各区间内所测定值依所出现的次数累积而成的面积，用柱子排起来的图形，也叫做柱状图。