查询词典 one-step method

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 modular femoral neck system of hip prosthesis is one method that can be used to obtain ideal femoral neck anteversion, offset, leg length and alignment.

摘要 全人工髋关节股骨柄上，股骨颈与股骨柄之模组化设计有利於手术过程中提供医师在完成股骨柄元件植入后，还能对於股骨颈与髋臼元件之间对位的调整，只要搭配选取不同的股骨颈元件弯曲角度或长度便可有效地重建髋关节的力学环境。

But obviously, from many of his writings, we can see his thinking on this issue and his attempt to solve the problem. We can go after his thoughts, study what he had achieved to retrieve an ethics as his one in the middle way. Towards the second question, my answer is both "yes" and "no". The reason I give a positive answer is that it is an undeniable fact that Sartre handed down a considerable quantity of writing on ethics. The War Diaries (1939-1940), Being and Nothingness (1943), Anti-Semite and Jew (1946),"Existentialism is a Humanism"(1946),"Materialism and Revolution"(1946), Notebooks for an Ethics (1947-1948), Search for a Method (1954), Critique of Dialectical Reason (1960), and "Notes on Ethics"(1964-1965) are representative examples.

我承认，因为萨特没有找到一个令人满意的解决之道调和他的个人绝对自由和团体自由以及社会自由之间的矛盾，他对有生之年发表他的伦理学专著犹豫不决，但是，从他的许多作品，我们能够窥见他对伦理学思考的端倪和想要完成这本著作的心愿，因此我们有可能沿着他思想的路径，捡起他撒落的花瓣，走完他走到半途的路程。

However, the antidromic method is more comfortable than the orthodromic one and can record a better recognizable sensory nerve action potential.

究其原因，可能是由于这些神经的动作电位波幅较小，测量难以进行所致。

Results show that, the double side excitation method, compared with the traditional single side one, can inhibit the multi-mode characteristic of Lamb waves and generate fundamental symmetric and antisymmetric modes at the relatively low exciting frequency. It can heighten the exciting effect and make it easy to analyze monitoring signals.

研究结果表明：与传统的单面激励方法相比，该激励方法能够抑制Lamb波的多模式特性，在频率较低的情况下可实现基本对称或反对称模式的产生，提高了Lamb波的激励效果，便于监测信号的分析。

Using the flap of the aponeurosis reversed triceps muscle of calf repaired old achilles tendon rupture is one of the best method to treat the old achilles tendon rupture.

采用小腿三头肌逆行腱膜瓣治疗陈旧性跟腱断裂是较好的方法，值得临床推广。

These results suggest that the activate spleen-energy method can achieve appetitive purpose by not only affecting the gastrointestinal tract function in periphery, but also regulating the process of ingestion in brain. The basic research about ingestion indicate: one hand, after food enters the gastro-intestinal tract, the endocrine cell of the intestinal tract is activated and secrete many kinds of brains intestines peptide, the level of the brain intestines peptide in blood as the periphery signal spreads to the central nervous system regions that control digest and feeding behavior. On the other hand, it has been shown that dorsal parabranchial neurons, containing CCK-8S, extend fibers to the VMH and are involved in the inhibition of feeding .

关于摄食控制的基础研究表明，一方面食物进入胃肠道后，激活肠道的内分泌细胞，分泌多种脑肠肽如CCK-8S，这些脑肠肽在血中的水平作为外周信号可通过"肠—脑轴"传入中枢神经系统介导消化和摄食行为的部位，影响摄食中枢神经元的活动调节动物的摄食行为；另一方面中枢神经元可合成释放内源性的神经肽直接作用于摄食中枢神经元调节摄食，如中枢鳃旁体神经元的神经纤维就可延伸到达VMH，并且合成释放内源性的CCK-8S。

Apple scab is one of most important apple diseases in apple growing areas in China. Through screening a pair of specific PCR primers for pathogen of apple scab, the method of early and rapid detection of pathogen of apple scab was developed in the study.

苹果黑星病是中国苹果产区的重要病害之一，为了建立该病原菌的早期快速检测技术，筛选出了对苹果黑星病菌具有特异性的FCR引物。

Therefore,multiple objective decision analysis is one of the best method in appraisement of urban traffic.

本文接着对多目标决策分析进行了一般介绍，给出了二种多目标分析的方法。

The paper puts forward stock prediction pattern based on BP Neural Network, depending on Neural Networks approachability to non-linear function. Compared with the prediction method of Time Order, one of the traditional prediction methods, BP algorithm is verified to be feasible and effective on stock prediction.

本文借助神经网络对非线性函数的逼近能力，提出基于BP神经网络的股票价格预测模型，通过对比传统的时间序列预测方法，证实BP神经网络算法用于股票预测的可行性及有效性。

I didn't watch TV last night, because it .

昨晚我没有看电视，因为电视机坏了。

Since this year, in a lot of villages of Beijing, TV of elevator liquid crystal was removed.

今年以来，在北京的很多小区里，电梯液晶电视被撤了下来。