恶二唑及其衍生物的光谱分析

用ＨＭＯ方法计算了５－苯基－２－（２＇－苯基恶唑基－５＇）１，３，４－恶二唑和５－苯基－２－（５＇－苯基恶唑基－２＇）１，３，４－恶二唑及其１４个衍生物分子的轨道能级，电荷密度等量子化学数据。经拟合，这两类衍生物分子的前线轨道能级差△Ｅ分别与λｍａｘ＾ＵＶ，λｍａｘ＾ＦＬ有很好的线性关系。讨论了氮原子位置不同对两类衍生物λｍａｘ和电荷密度的影响，且预示了５６个衍生物的紫外光谱的最大吸收峰波长。     

N,N—双—（苯并咪唑基甲基）羟胺的合成及其应用

在碳酸氢钠存在下，用一步法以苯并咪唑，甲醛，盐酸羟胺为原料，合成了Ｎ，Ｎ－双－（苯米唑唑基甲基）羟胺；苯并咪唑，甲醛与甲胺与甲苯溶液中回液分水，得到，Ｎ，Ｎ－双－（苯并咪唑基甲基）甲胺。用Ｎ，Ｎ－双－（苯并咪唑基甲基）羟胺与格氏试剂反应合成了４个Ｎ，Ｎ－双取代羟胺。     

微波辐射下干介质中酰氨基硫脲及其关环产物合成的研究

本文用苯乙酰肼与苯基异硫氰酸酯在微波辐射下以氧化铝为介质进行反应,合成１－苯乙酰基－４－苯基氨基硫脲;然后分别将其在冰醛酸、醋酸汞存在下关环,制得２－苯甲基－５－苯胺基－１,３,４－噻二唑与２－苯甲基－５－苯胺基－１,３,４恶二唑。     

2,5—二（2‘—苯酚基）—1,3,4—恶二唑的合成

本文报道了２，５－二（２－苯酚基）－１，３，４－恶二唑的合成，目标化合物是未见报道的新化合物，经谱学及元素分析的方法确认了它的结构，并进行了生物活性的测试。     

芝麻素类型木脂素的合成研究Ⅲ．2—芳基呋喃—3，4—二羧酸二甲酯的合成

本文报道了9个恶二唑类化合物的制备。研究了6个恶唑和恶二唑类化合物与丁炔二酸二甲酯的Diels-Alder反应，其中4个获得了目标产物2－芳基呋喃－3，4－二羟酸二甲酯。     

N,N-双-(苯并咪唑基甲基)羟胺的合成及其反应

在碳酸氢钠存在下，用一步法以苯并咪唑、甲醛、盐酸羟胺为原料，合成了N，N-双-（苯并咪唑基甲基）羟胺（Ⅰ）；苯并咪唑、甲醛与甲胺在甲苯溶液中回流分水，得到N，N-双-（苯并咪唑基甲基）甲胺（Ⅱ）．用N，N-双-（苯并咪唑基甲基）羟胺与格氏试剂反应合成了4个N，N-双取代羟胺（Ⅲ）．用N，N-双-（苯并咪唑基甲基）羟胺与丙烯酸甲酯、丙烯酸乙酯或反-丁烯二酸二乙酯发生1，3-偶极环加成反应，得到2－（苯并咪唑基甲基）异唑啉-5-羧酸酯或2-（苯并咪唑基甲基）异唑啉-4，5-二羧酸酯．用IR，1HNMR和元素分析确定了它们的结构．     

摩尔比法测定乙酰基二茂铁2，6—吡啶二甲酰基腙与P^2＋b,Cu^2＋,Cd^2＋,Co^2＋的络合比

本文用摩尔比法测定了乙酰基二茂铁2，6－吡啶二甲酰基腙与P^2 b,Cu^2 ,Cd^2 ,Co^2 的络合比，结果表明乙酰基二茂铁2，6－吡啶二甲酰基腙与P^2 b,Cu^2 ,Cd^2 ,Co^2 均形成1：2型的双核络合物。     

三甲基四氢喹啉杂环染料的研究 Ⅰ.三甲基四氢喹啉及其衍生物的合成

研究了芳胺与丙酮反应合成三甲基二氢喹啉及其衍生物的方法，以间甲苯胺为 原料，用甲苯共沸脱水、对申苯磺酸为催化剂，四甲基二氢喹啉收率为７６％， ＨＰＬＣ分析无杂质峰；用核磁共振谱测定了合成的三种三甲基二氢喹啉衍生物的结 构，用间位取代芳胺为原料时，得到的是７－位取代的三甲基二氢喹啉衍生物；提出 了三甲基二氢喹啉及７－甲基衍生物无溶剂加氢方法，以２，２，４，７－四甲基－１，２－二氢喹啉 为原料，用 ８２＃兰尼镍加氢，收率达９５％，产品纯度大于 ９８％．     

N-(2-甲氧基-5-甲酰基苄基)亚胺基二乙酸的合成及表征

以4－甲氧基苯甲醛为原料，在无水氯化锌催化下，用浓盐酸和40％甲醛溶液进行氯甲基化反应制得取代氯苄，再以新制的无水碳酸钾为质子吸收剂、干燥的乙腈为溶剂，与亚氨基二乙酸二乙酯进行N－烷基化反就，然后用Ba(OH)2－水悬浮液进行了水解得到N－（2－甲氧基－5－甲酰基苄基）亚胺基二乙酸的钡盐沉淀，最后用烯硫酸处理得到N－（2－甲氧基－5－甲酰基苄基）亚胺基二乙酸，该方法产率高，工艺简单，通过^1H NMR、IR和元素分析对所得化合物的结构进行了表征。     

叔胺催化合成S，S＇－（2－苯并噁唑基）－1，2－二硫代草酸酯

叔胺催化合成Ｓ，Ｓ＇－（２－苯并噁唑基）－１，２－二硫代草酸酯吴长举，于雁，赵玉国，高克珍山东师范大学化学系，２５００１４，济南；山东师范大学软科学研究所，２５００１４，济南；山东临朐化肥厂，２６２６００，山东临朐；山东师范大学化工厂，２５００１４，...     

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.     

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     

On the Thermodynamic Limit for Responses to Static Electromagnetic Fields

For molecular systems,the quantum-mechanical treatment of their responses to static electromagnetic fields usually employs a scalar-potential treatment of the electric field and a vector-potential treatment of the magnetic field.Although the potential for each field separately is associated with the choice of an(unphysical)origin,the precise choice of the origin for the electrostatic field has little consequences for the results.This is different for the