分子的

However,after addition a little apolar molecules,apolar molecules insert into hydrophobic microdomains,which makes PPO chains extend at certain degree,and the order of LLC increases.Therefore,the systems will supply favorable conditions for enhancing the solubility of oil-soluble molecules,which further expands application prospects of the systems.

而加入少量极性较小的油溶性分子后，油溶性分子填充到PPO链段间，使得PPO链段在一定程度上得到伸展，液晶层间距增大，两亲分子排列的有序性增强，这就为油溶性分子的增溶提供了有利条件，扩展了该体系的应用前景。

Among the 10 descriptors, the coplanarity of three phenyl substituents with the imidazole ring, the hydrogen-bond acceptance, the molecular weight and logP are the most important factors for the modulation efficacy.

借助半经验分子轨道法AM1和从头计算法RHF/6-31G计算得到分子的多种描述因子，采用多元线性回归方法进行了结构药效分析，基于分子的结构参数、接受氢键的能力、脂水分配系数等对药物分子半有效剂量的影响提出一套拟合效果比较理想的构效关系方程，其复相关系数和标准偏差分别为0.897和0.323。

Far infrared magnetized: There are far infrared magnets in the tin, which may produce a strong magnetic field. All this will form a magnetic line of force, which makes all the water molecules under the magnetic force. The water molecules will be in a group form, and become more active. It will be easier for human body to absorb so as to speed up blood circulation.

远红外磁化：奇石罐中设置了远红外磁石，能产生高强度的磁场，形成全方位的磁力线，使整个水分子处在磁力线的切割之中，从而使水分子形成并保持小分子团状态，增强水分子的活性，更利于人体的吸收，促进血液循环。

The results show that the retention time of solute in HPLC is controlled by the molecular radius or molar volume, the dipole moment, the sum of negative Mülliken charges LUMO and the interaction between solution and solute.

结果表明溶质在反相C18柱上的保留值由分子半径或体积、分子的偶极矩、分子的静电力及溶质与流动相分子相互作用力决定。

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。

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。

The two-photon absorption cross-sections of these styryl derivatives were determined by Z-scan technique, and the benzothiazolium derivatives exhibited the largest TPA cross-sections (10〓s·cm〓/photon) and the best power limiting ability at high operable incident intensity. The results show that the benzothiazolium derivatives are promising organic compounds as two-photon absorption optical limiting materials. 2. Several organic dyes active to 800nm femtosecond laser with D-π-A structure were designed and synthesized.

研究了它们的上转换荧光、上转换激射和光限幅行为，通过改变染料分子共轭体系的大小，首次实现了在576nm-635nm范围内的双光子上转换激光波长的调节，其中噻唑啉碘盐类二苯乙烯化合物的双光子上转换激射峰（576nm）是迄今在1064nm皮秒激光作用下能够得到的最短波长的激光；阴离子显著改变上转换激射效率，但对上转换荧光峰和激射峰的位置影响很小；增加溶液的浓度，上转换荧光光谱和激射光谱红移，并在一定的浓度范围内，能够有效的提高上转换激射效率；利用Z-扫描技术测定了染料分子的双光子吸收截面，发现苯并噻唑类染料分子的双光子吸收截面高达10〓s·cm〓／photon，而且在较大的入射光强范围内，这类染料分子具有较大的光限幅能力，是一类作为双光子吸收光限幅材料很有潜力的染料分子。

The SERS of various concentration of Reactive Red, Acid Red, Acid Black, Direct sol orange and Calcon Carboxylic Acid adsorbed on silver colloid are studied by micro-Raman spectrometer. It has been found that the SERS intensity of absorbed molecules is mainly from the nearest molecule layer to the surface of silver colloid. That is, SERS has its single layer saturation effect. 2. The technique of direct deposition of silver colloid on a Kaolinite surface is first described.

以银溶胶作基底，利用显微拉曼光谱仪对不同浓度的活性艳红、酸性红、酸性黑、直接耐晒橙四种染料和钙羧酸指示剂的表面增强拉曼光谱进行了研究，结果表明，由于表面增强拉曼散射具有单分子层饱和效应和银溶胶系统对荧光的猝灭率很高，能吸附染料分子并增强拉曼散射的强度，且吸附分子的表面增强拉曼散射的强度，主要是由于最靠近银溶胶的一层分子的增强，而第一层以外的分子贡献很小。

For physisorption of organic molecules on chemically inert graphite, the interaction between the adsorbates and the substrate was very weak, which provided an opportunity to image the molecules with a minimum of substrate perturbation.

有机分子物理吸附在惰性基底石墨上时，分子和基底之间的相互作用很弱，吸附分子的STM图像反差主要由分子本身的性质决定。

To obtain the hyperfine structure and A-doubling parameters from the high-resolution spectra of novel free radicals directly, a set of algebraic formulae were developed to analyze the spectra with hyperfine structure and A-doubling resolution, some related important constants of NO have been obtained by analyzing its LMR spectra.

为了对新自由基分子激光磁共振光谱的早期标识提供一些必要的分子参数，我们发展了一组用于分析自由基分子高分辨光谱中的超精细和Λ-双分裂结构的代数方程，通过对NO超高分辨激光磁共振光谱中的超精细和Λ-双分裂结构的分析，获得了该分子的部分超精细结构参数，由此验证了该方法的可靠性，为新自由基分子的光谱标识提供了必要的参数和先导方法。

The labia have now been sutured together almost completely.The drains and the Foley catheter come out at the top.

此刻阴唇已经几乎完全的缝在一起了，排除多余淤血体液的管子和Foley导管从顶端冒出来。

To get the business done, I suggest we split the difference in price.

为了做成这笔生意，我建议我们在价格上大家各让一半。