新型偶氮苯的质谱特征与非线性光学性质

合成了偶氮苯染料－４－硝基４′－二（Ｎ，Ｎ′－羟乙基）氨基偶氮苯及其３个衍生物．染料分子的质谱行为与分子内电荷转移态有关，存在优势的Ｍ＋１碎片峰．染料分子的二阶非线性光学系数与其偶极矩的复合量用溶剂化变色法测得为≥２９０×１０－３０Ｄ·ｅｓｕ－１     

直链烷基酸性染料色谱保留行为的研究

采用反相离子对色谱法探讨不同直链烷基酸性染料结构、硫水性和保留值的关系。染料分子中含有两个烷基，即重氮组分的Ｒ和偶合组分中Ｎ－酰中的Ｒ’．实验结果表明，染料分子的保留值随染料分子中烷基（Ｒ或Ｒ’）碳链的增长而增加，在Ｒ固定情况下，染料分子的保留值与两个烷基碳数总和ｎ总（即ＣＲ＋ＣＲ’）成指数关系．     

蒽醌型二色性染料有序参数与结构的关系

本文测定了26个蒽醌型二色性染料的有序参数S,计算了染料分子π电子云在分子长轴上的投影长度l,发现S随l的增长而增大,当长度达到2nm左右时,增大趋势就十分缓慢。用PPP-D程序计算了染料分子的基态和激发态的偶极矩,发现染料分子在液晶中有序参数随着染料分子基态和激发态偶极矩之间夹角θ的减小而增大。     

萘系磺酸甲醛缩合物的性质

本文讨论了分散剂的性质及其作用机理。分离了用作分散剂的萘磺酸甲醛缩合 物（ＮＡＮＳＦ），甲基萘磺酸甲醛缩合物（ＮＡＭＮＳＦ）的单一组分，测定了各组分水 溶液的表面张力，其降低表面张力的能力随分子量的增加而递减；ＮＡＮＳＦ和ＡＢＳ或 ＯＰ配，可使表面张力从６９ｍＮ／ｍ左右下降到４０ｍＮ／ｍ左右；也显著改善了对染料 的润湿能力，可使接触角从５８°下降到１２°左右；测定了ＮＡＮＳＦ各组分在活性炭和 ＴｉＯ２上的吸附，均属朗格缪吸附，推测ＮＡＮＳＦ分子在ＴｉＯ２上的吸附形态为平躺的 单分子吸附层；在活性炭上的吸附量随ＮＡＮＳＦ组分的分子量增加而递减，在ＴｉＯ２上则 随分子量的增加而递增。     

溶于液晶的二向色性染料有序参数的研究

研究了宾主盒的二向色性染料的有序参数(S)与其分子长度(l)、宽度等分子构型以及分子的偶极和诱导偶极的关系,发现S随l的增长而增大。当l增加到一定值时,有序参数增大缓慢,如果l超过液晶分子太大时,则出现下降趋势。而在平均分子长度为1.4 nm的E_7液晶中,染料分子长度达到2.30nm时,其有序参数将趋于饱和。染料分子的侧向取代基由于增加其分子宽度,也会使有序参数下降。宾主盒的有序参数随染料分子与液晶分子间偶极作用的增加而增大。宾主盒有序参数越大,其二色比越高,显示对比度一般也越高。     

均四嗪型负二向性液晶染料的研究

对均四嗪衍生物作为液晶彩色显示用染料结构和应用性能的关系进行了研究。 结果表明，均四嗪染料在Ｅ７液晶中具有负二向性，其有序参数随分子线性长度 增加而增加。应用这类染料可以得到正型宾主显示。     

减感染料的HMO计算

用ＨＭＯ法（Ｈüｃｋｅｌ分子轨道法）对６个减感系列染料的π－电子能级进行了计算。测定了染料的激发能和还原半波电位，计算值和实测值吻合较好。此方法对染料的合成及筛选有一定的指导意义     

混合染料分子系统内能量转移

研究阴、阳离子型染料分子荧光素钠（ＦＳ）、诺单明（Ｒｈ６Ｇ）的吸收光谱及荧光光谱。发现这两种混合染料之间存在能量转移效应，能量转移属激基复合物内部的交换能量转移。     

油溶性银漂染料的合成及性能研究

合成并鉴定了黄色、品红色及青色共１１个油溶性偶氮染料，研究了染普在溶剂中的光谱性质和油溶性，结果表明，各染料色光纯正、有害吸收少，分子支链度大的染料Ｙ－２、Ｙ－６等具有良好的油溶性，可望用于银漂感光材料。     

以若丹明为母体的多发色团化合物的合成

合成了８个以若丹明６Ｇ，若丹明１０１，若丹明Ｂ或若丹明ＤＲ－２１为母体，以１，８－萘酰亚胺衍生物为天线基元，以双亚甲基作为桥链连接两者的多发色团激光染料，并对它们进行吸收光谱和荧光光谱的测试，结果表明，发生了从天线基元指向若丹明母体的分子内能量传递现象，并且多发色团激光染料相对于对应的若丹明染料的荧光量子产率有不同程度的提高。     

Markedness and its Interpretation in Language Use

Language markedness is a common phenomenon in languages, and is reflected from hearing, vision and sense, i.e. the variation in the three aspects such as phonology, morphology and semantics. This paper focuses on the interpretation of markedness in language use following the three perspectives, i.e. pragmatic interpretation, psychological interpretation and cognitive interpretation, with an aim to define the function of markedness.     

Features of Women's language

Language is a means of verbal communication. People use language to communicate with each other. In the society, no two speakers are exactly alike in the way of speaking. Some differences are due to age, gender, statue and personality. Above all, gender is one of the obvious reasons. The writer of this paper tries to describe the features of women＇s language from these perspectives： pronunciation, intonation, diction, subjects, grammar and discourse. From the discussion of the features of women＇s language, more attention should be paid to language use in social context. What＇s more, the linguistic phenomena in a speaking community can be understood more thoroughly.     

An Analysis of Catherine＇s Character——Wuthering Heights

Wuthering Heights, Emily Bronte＇s only novel, was published in December of 1847 under the pseudonym Ellis Bell. The book did not gain immediate success, but it is now thought one of the finest novels in the English language. Catherine is the key character of this masterpiece, because everybody and everything center on her though she had a short life. We can understand this masterpiece better if we know Catherine well.     

Lower Paleozoic oil relationships within Williston Basin, Canada

The Williston Basin is a significant petroleum province, containing oil production zones that include the Middle Cambrian to Lower Ordovician, Upper Ordovician, Middle Devonian, Upper Devonian and Mississippian and within the Jurassic and Cretaceous. The oils of the Williston Basin exhibit a wide range of geochemical characteristics defined as "oil families", although the geochemical signature of the Cambrian Deadwood Formation and Lower Ordovician Winnipeg reservoired oils does not match any "oil family". Despite their close stratigraphic proximity, it is evident that the oils of the Lower Palaeozoic within the Williston Basin are distinct. This suggests the presence of a new "oil family" within the Williston Basin. Diagnostic geochemical signatures occur in the gasoline range chromatograms, within saturate fraction gas chromatograms and biomarker fingerprints. However, some of the established criteria and cross-plots that are currently used to segregate oils into distinct genetic families within the basin do not always meet with success, particularly when applied to the Lower Palaeozoic oils of the Deadwood and Winnipeg Formation.     

低渗透非均质砂岩油藏启动压力梯度研究

理论推导与室内实验相结合,建立了低渗透非均质砂岩油藏启动压力梯度确定方法。首先借助油藏流场与电场相似的原理,推导了非均质砂岩油藏启动压力梯度计算公式。其次基于稳定流实验方法,建立了非均质砂岩油藏启动压力梯度测试方法。结果表明:低渗透非均质砂岩油藏的启动压力梯度确定遵循两个等效原则。平面非均质油藏的启动压力梯度等于各级渗透率段的启动压力梯度关于长度的加权平均;纵向非均质油藏的启动压力梯度等于各渗透率层的启动压力梯度关于渗透率与渗流面积乘积的加权平均。研究成果可用于有效指导低渗透非均质砂岩油藏的合理井距确定,促进该类油藏的高效开发。     

On Tragic Consciousness In The Works By Ernest Hemingway

As an American modern novelist who were famous in the literary world, Hemingway was not a person who always followed the trend but a sharp observer. At the same time, he was a tragedy maestro, he paid great attention on existence, fate and end-result. The dramatis personae's tragedy of his works was an extreme limit by all means tragedy on the meaning of fearless challenge that failed. The beauty of tragedy was not produced on the destruction of life, but now this kind of value was in the impact activity. They performed for the reader about the tragedy on challenging for the limit and the death.     

Design and analysis of generic LBS application developing platform

Location based services is promising due to its novel working style and contents.A software platform is proposed to provide application programs of typical location based services and support new applications developing efficiently. The analysis shows that this scheme is easy implemented, low cost and adapt to all kinds of mobile nework system.     

Achieving Unusual States of Matter Under High Pressure

正The periodicity of the elements and the non-reactivity of the inner-shell electrons are two related principles of chemistry,rooted in the atomic shell structure.Within compounds,Group I elements,for example,invariably assume the+1 oxidation state,and their chemical properties differ completely from those of the p-block elements.These general rules govern our understanding of chemical structures and reactions.Using first principles calcula-     

Exchange-Correlation and Electronic Excitation Energies from Pairing Matrix Fluctuations

We have developed an adiabatic connection to formulate the ground-state exchange-correlation energy in terms of pairing matrix linear fluctuations.This formulation of the exchange-correlation energy opens a new channel for density functional approximations based on the many-body perturbation theory.We illustrate the potential of such approaches with an approximation based on the particle-particle Random Phase Approximation(pp-RPA).This re-     

Density Functional Theory for the Response of Periodic Systems to Electric Fields Based on the Vector Potential Approach

正The electronic and nuclear(structural/vibrational)response of 1D-3D nanoscale systems to electric fields gives rise to a host of optical,mechanical,spectral,etc.properties that are of high theoretical and applied interest.Due to the computational difficulty of treating such large systems it is convenient to model them as infinite and periodic(at least,in first approximation).The fundamental theoretical/computational problem in doing so is that