分子

In this thesis, we focus on the theory for the interaction of molecular dipole moment with external electric field and use the numerical simulation to investigate the rotational state-selection of polar molecules in a hexapole electric field and the laser-field role of alignment or orientation for molecules based on semi-classical treatment, the detail is the numerical calculation for a quantum mechanical treatment of molecules and their interaction with the external field and a classical electrodynamical treatment for static electric field.

本文研究是在描述分子偶极矩（永久偶极矩或诱导偶极矩）和外电场相互作用的基础上，我们建立了对分子态选择和角动量取向、准直研究的半经典理论框架（即分子体系状态、能量及与外场相互作用使用量子理论描述，分子的运动轨迹使用经典电动力学描述），并利用数值计算方法对静电场和随时间变化电场作用下分子的转动态选择、取向和准直过程进行了研究。

The low-current STM image showed that polyaniline molecular wires on Au(111) clearly exhibited a hexagonal-lattice ordered arrays, and the nearest neighbor distance in all molecular direction was 〓 The easy and feasible route (supramolecular self-assembly with CD-electropolymerization) promises to prepare an insulated polyaniline molecular wire.

低电流STM图像表明在Au(111)表面的聚苯胺分子线为六角的二维有序，分子与分子之间的最相邻距离为〓这种先进行CD超分子自组装后电聚合的方法可能会成为一类制备导电聚合物绝缘分子导线的新方法。

One has noted that small conjugated molecules, single- and multiple-wall carbon nanotubes and macromolecules such as DNA possess many useful device characteristics, for instance, molecular switch, molecular memory, negative differential resistance and single-molecule transistors.

人们发现小的共轭分子、单层或多层碳纳米管、大的有机分子具有功能器件的特性，例如：分子开关、分子存储器、负微分电导、分子场效应管等特性，并且对此进行了论证报道。

Szechuanensis had mesophyte characteristics which were different across elevations; these differences contributed to their adaptation to a range of drought environment; the leaf thickness, vein thickness, vessel number, palisade mesophyll thickness and the P/S ratio were increased, while vessel diameter was reduced with increasing elevation, but no significant differences in epidermal thickness and spongy mesophyll thickness were found along the elevations.

随着海拔的升高，叶总厚度、栅栏组织厚度、P/S值和主脉厚度以及导管分子数目等均呈增大趋势，而导管分子直径减小；表皮厚度、海绵组织厚度等无明显差异。2多元统计分析显示，叶肉组织厚度和叶片总厚度主要受温和度的影响，并随着温和度的降低而增大；P/S值和导管分子数目主要与年降水量和土壤含水量的变化有关，随着水分增加，P/S值和导管分子数目增大，而导管分子直径减小。

The molecular radius and molar volume in gas, the dipole moment in gas, water and methanol, the sum of negative Mülliken charges and the frontier molecular orbital were also calculated at the same level.

在气相条件下计算了分子的半径及分子的体积，并在气相、水和甲醇介质中计算了分子的偶极矩、分子中原子的Mülliken电荷、分子的前线轨道。

The thermodynamic behaviour in the separation of molecular imprinting was studied.

研究了分子印迹分离过程中的热力学行为，测定了萘普生和酮洛芬分子印迹分离过程中的的焓变、熵变和自由能变化，计算结果得出ΔH和ΔS的值均为负值，并且熵的变化很小，这说明萘普生和酮洛芬分子印迹拆分过程是受焓控制的，从而进一步说明影响分子印迹分离的两个主要因素中，与模板分子互补的功能基比空间孔穴占有更重要的作用。

It was found that the geometries of the studied materials were significantly affected by the ring size and intramolecular charge transfer. The HOMO level, LUMO level, and band gap of the studied model compounds were well controlled by the acceptor strength. However, the electronic properties of the studied polymer showed a significant different trend with the acceptor strength due to the geometrical transformation. The model compound of EDOT-TP and T-TP has the aromatic geometry but is transformed to the quinoid geometry for large intramolecular charge transfer. The small bond length alternation and large acceptor strength in the EDOT-BDP polymer also results in the smallest Eg of 0.7 eV among the studied polymers.

我们发现环的大小以及分子内电荷转移对结构有很大的影响，而小分子的HOMO、LUMO和能隙受到电子受体强度所控制，然而，高分子的电子特性与其构成分子却有明显不同的趋势，这主要是由於分子结构的转变，如小分子EDOT-TP以及T-TP因分子内电荷转移，使其高分子结构由aromatic转变成quinoid；而EDOT-BPP因其键长改变量小和良好的电子受体强度，使其能隙仅0.7个电子伏特。

And the development and formation of the sieve tube elements of the different cultivars were influenced by the different levels of B: the sieve tube elements of the two cultivars were not formed at the level of 0.001mg/L; At the level of 0.01mg/L, the sieve tube elements of the high efficiency (Qingyou 10) cultivar could be formed, but the structure of the sieve tube elements was not complete, and the abruption and differenciation of the sieve tube elements of the low efficiency cultivar were inhibited, they were not formed; At the level of 0.01mg/L, the sieve tube elements of the two cultivars were formed.

不同硼水平下，不同硼效率甘蓝型油菜品种根尖筛管分子的发育与形成受到影响：硼浓度为0.001mg／L时，两个油菜品种都不能形成筛管分子；硼浓度为0.01mg／L时，硼高效品种青油10号筛管分子可以形成，但结构受到破坏，而硼低效品种Bakow筛管分子的分裂与分化受阻，几乎不可能形成成熟的筛管分子；硼浓度为0.5 mg／L时，两个油菜品种都能正常生长发育。

This project was established based on the first cooperative development of optical in situ real time detecting technique probing the atomic scale layer-by-layer epitaxy growth of oxide film. Over the last three years, we have given full play to the advantages and characteristics of both sides and have finished the assumptions and plans of this subject satisfactorily. 1. In Institute of Physics, we set up advanced oblique-incidence reflectivity difference equipment and wrote one data acquisition procedure that made the simultaneous detection of optical signal and RHEED signal into reality. 2. The first observation of sustained oscillations over hundreds of monolayers in both real and imaginary signals during the epitaxy growth of SrNb0.1Ti0.9O3 on SrTiO3 substrate in LMBE testifies that oblique-incidence is an excellent method to detect and monitor film epitaxy growth real time. 3. For the first time, we verify that oblique-incidence reflectivity difference method can be used to monitor the layer-by-layer growth mode during continuous growth through the correspondence between optical signals to atomic or molecular step edge density on the growth surface. 4. Phenomenological analysis shows that optical signals comprise three parts, the first is proportional to the average thickness of the film and depends on the bulk phase dielectric response; the second is proportional to the coverage of terraces and depends on the dielectric response of atoms or unit cells in the terrace; the third is proportional to the coverage of step edges and depends on the effective dielectric response of atoms or unit cells at step edges. This makes oblique-incident reflectivity difference technique a quantitative macroscopic method to monitor film growth.

中文摘要：本课题是在合作首次发展了氧化物薄膜原子尺度层状外延生长光学原位实时探测方法的基础上立项的，三年来，我们充分发挥双方的优势和特点，圆满完成了课题的设想和计划。1、在物理所建立了一套先进的光反射差法装置，编写了计算机系统的数据采集程序，实现了两路光学信号和RHEED数据的同步采集和显示。2、用激光分子束外延在SrTiO3基底上生长SrNb0.1Ti0.9O3薄膜，首次观测到连续外延几百个原胞层，周期振荡的光反射差实部和虚部信号，证明了光反射差法是一种能原位实时探测与监控薄膜层状外延生长的好方法。3、首次验证了通过对生长表面原子或分子台阶密度的响应，光反射差法可用于原位实时监测在连续生长条件下薄膜的层式生长模式。4、通过唯象理论的研究，证明光反射差信号由三项组成，第一项只与薄膜的平均厚度和宏观光学电介质常数有关；第二项与分子台阶面覆盖度和台阶面上分子层的光学电介质常数有关；第三项与台阶边缘的覆盖度成正比，并和在台阶边缘的分子的有效光学介电常数有关。

The major contents contained genomics of medical and industrial important microbes; molecular technology used in uncultivable microbes; virus molecular genetics; Streptomyces molecular genetics; filament fungal molecular genetics; yeast molecular genetics and microbial breeding.

本课程主要讲解医学微生物及工业微生物代表菌株的基因组学；难培养微生物的分子生物学研究技术；病毒分子遗传学；链霉菌分子遗传学；丝状真菌分子遗传学；酵母分子遗传学及微生物育种等内容。

The split between the two groups can hardly be papered over.

这两个团体间的分歧难以掩饰。

This approach not only encourages a greater number of responses, but minimizes the likelihood of stale groupthink.

这种做法不仅鼓励了更多的反应，而且减少跟风的可能性。