N-乙基,N-异丙基和N-叔丁基-2-氨基嘧啶热解反应的理论研究

主要用PM3法对N－乙基、N－异丙基和N－叔丁基－2－嘧啶的气相热解反应进行了研究，并用内禀反应坐标（IRC）理论以N－乙基－2－嘧啶热解反应作了剖析，在此基础上用RHF／6－31G从头计算对其作了对比计算，结果表明反应是一个H17带正电迁移引发的途径六元环过渡态的单分子热消除反应，反应的活化能分别为224．955（292．378／RHF／6－31G），221．340和221．115kJ.mol^-1，与实验结果基本吻合。     

4—n—戊基—4‘—氰基三联苯的合成

以４－ｎ－戊基三联苯为原料，经过碘代反应，氰代反应合成了４－ｎ－戊基－４’－氰基三联苯。研究了反应条件，反应总产率由文献的３０．６３％提高于５２．７６％，用红外，质谱，元素分析确证了化学结构，经ＤＳＣ测试，其注晶相温度范围为１３２．０￣２３９．５℃。     

1,1-二氟环丙烯异构化反应的理论研究

用量子化学理论方法研究了１，１－二氟环丙烯单重态的异构化反应．结果表明，该异构化反应为放热反应，放出的热量为４８．２３ｋＪｍｏｌ－１；该反应的势垒高度为３１５．５３ｋＪｍｏｌ－１，反应不易进行．计算了反应中有关物种的结构数据．通过内禀反应坐标（ＩＲＣ）计算，获得了沿反应途径的势能剖面     

蒽醌型负二向性液晶染料的研究Ⅰ 1,8-二氨基-4.5-二羟基蒽醌衍生物的合成

１，８－二氨基－４，５－二羟基蒽醌的酰化物具有负二向色性，可用于正型彩色液晶显 示．研究了１，８－二羟基葱醌的硝化、还原及酰化反应条件．在硼酸存在下用混酸硝化． 进一步用硫化碱还原制得１，８－二氨基－４，６－二羟基蒽醌，用Ｔ．Ｌ．Ｃ．分离硝化产物． 经质谱和核磁氢谱确证了主要副产物的结构是１，８－二羟基－２．５－二硝基蒽醌．１．８－二 氨基－４．５－二羟基蒽醌与对位取代的苯甲酰氯反应时，在氯苯介质中只发生氨基酰化， 而在吡啶介质中氨基和羟基同时被酰化．     

ⅢA族金属元素分子内配合物的研究(Ⅰ) 有机铝分子内配合物的合成

在无水乙醚中，用锂试剂法使２－甲基吡啶类化合物和甲醛反应制得２－（２－羟乙基）吡啶类化合物．后者和二氯亚砜发生取代反应后，产物制成格氏试剂和二烷基卤化铝反应合成了２－（２－吡啶基）乙基二甲基铝、２－（２－吡啶基）乙基二乙基铝和２－［２－（４－甲基）吡啶基］乙基二甲基铝．用１Ｈ－ＮＭＲ（Ｃ６Ｄ６）和ＭＳ作了鉴定．这３个化合物均未见文献报道．     

聚异戊二烯橡胶环化反应动力学研究

以红外光谱为主要手段研究了聚异戊二烯的环化反应动力学。测定了环化反应动力学参数：反应级数ｎ＝１，活化能Ｅａ＝８３１．１ｋＪ．ｍｏｌ＾－１，指前因子Ａ＝２．７５×１０＾１０ｍｉｎ＾－１，并测定了标准活化熵和活化焓，分别为△ｒ＾≠Ｓｍ＾φ＝－６９．１Ｊ．ｍｏｌ＾－１．Ｋ＾－１和△≠ｒＨｍ＾φ＝８０．４ｋＪ．ｍｏｌ＾－１，提出了该环化反应的可能机理。用１ＨＮＭＲ分析了环化聚异戊二烯的结构。     

3,4,5—三甲氧基苯甲醛的合成

３，４，５－三甲氧苯甲醛是制ＴＭＰ的关键中间体，用苯酚先磺化再溴化，再经甲氧基化、甲酰化、甲基化４步反应合成。每步产率分别为７７．７％，７６．０％，４１．０％和９３．０％，总收率为２２．５％，对２，６－二甲氧基苯酚的Ｖｉｌｓｍｅｉｅｒ－Ｈａａｃｋ甲酰化反应，Ｄｕｆｆ反应以及Ｒｅｉｍｅｒ－Ｔｅｉｍａｎｎ反应等可能的甲酰化方法进行了研究。     

3，4，5－三甲氧基苯甲醛的合成

３，４，５－三甲氧苯甲醛是制ＴＭＰ的关键中间体，用苯酚先磺化再溴化，再经甲氧基化、甲酰化、甲基化４步反应合成。每步产率分别为７７．７％，７６．０％，４１．０％和９３．０％，总收率为２２．５％。对２，６－二甲氧基苯酚的Ｖｉｌｓｍｅｉｅｒ－Ｈａａｃｋ甲酰化反应，Ｄｕｆｆ反应以及Ｒｅｉｍｅｒ－Ｔｉｅｍａｎｎ反应等可能的甲酰化方法进行了研究。     

气液色谱法研究双（o,o‘—二正辛基二硫代磷酸酯）合镍（…

用气液色谱法研究了双－（ｏ，ｏ‘－二辛基二硫代磷酸酯）合镍与环戊酮加合反应的热力学性质，测定了３３３．２－３６３．２范围内加后反应的平衡常数，用最小二乘法求得反应的ΔＨ＾Φ和ΔＳΦ，并描述了两者加合反应的平衡常数值的经验公式。     

α—淀粉酶的特性及其淀粉粘合剂中的应用

对来自枯草杆菌的商品α－淀粉酶水解淀粉的活力与温度ｐＨ值的关系以及α－淀粉酶对温度和化学药品如乙二胺四乙酸二钠以及苯酚的耐受程度等进行了研究，结果发现，用α－淀粉酶水解淀粉的最佳反应温度为９０℃，反应的最佳ｐＨ值为６．０～６．２反应完成后，用乙二胺四乙酸二钠在１００℃以上结束反应最为有效，它可以将残余酶活力降至最低，从而抑制粘合剂在贮存过程中的粘度降低。     

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.     

Characterization of Ordovician carbonate reservoirs, southeastern Saskatchewan, Canada

The discovery of the prolific Ordovician Red River reservoirs in 1995 in southeastern Saskatchewan was the catalyst for extensive exploration activity which resulted in the discovery of more than 15 new Red River pools. The best yields of Red River production to date have been from dolomite reservoirs. Understanding the processes of dolomitization is, therefore, crucial for the prediction of the connectivity, spatial distribution and heterogeneity of dolomite reservoirs.The Red River reservoirs in the Midale area consist of 3～4 thin dolomitized zones, with a total thickness of about 20 m, which occur at the top of the Yeoman Formation. Two types of replacement dolomite were recognized in the Red River reservoir: dolomitized burrow infills and dolomitized host matrix. The spatial distribution of dolomite suggests that burrowing organisms played an important role in facilitating the fluid flow in the backfilled sediments. This resulted in penecontemporaneous dolomitization of burrow infills by normal seawater. The dolomite in the host matrix is interpreted as having occurred at shallow burial by evaporitic seawater during precipitation of Lake Almar anhydrite that immediately overlies the Yeoman Formation. However, the low δ18O values of dolomited burrow infills (-5.9‰～ -7.8‰, PDB) and matrix dolomites (-6.6‰～ -8.1‰, avg. -7.4‰ PDB) compared to the estimated values for the late Ordovician marine dolomite could be attributed to modification and alteration of dolomite at higher temperatures during deeper burial, which could also be responsible for its 87Sr/86Sr ratios (0.7084～0.7088) that are higher than suggested for the late Ordovician seawaters (0.7078～0.7080). The trace amounts of saddle dolomite cement in the Red River carbonates are probably related to "cannibalization" of earlier replacement dolomite during the chemical compaction.     

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.     

A computer generator for randomly layered structures

AcomputergeneratorforrandomlylayeredstructuresYUJia shun1,2,HEZhen hua2(1.TheInstituteofGeologicalandNuclearSciences,NewZealand;2.StateKeyLaboratoryofOilandGasReservoirGeologyandExploitation,ChengduUniversityofTechnology,China)Abstract:Analgorithmisintrod…     

An Index mechanism for multi-scale view in spatial databases

There are numerous geometric objects stored in the spatial databases. An importance function in a spatial database is that users can browse the geometric objects as a map efficiently. Thus the spatial database should display the geometric objects users concern about swiftly onto the display window. This process includes two operations:retrieve data from database and then draw them onto screen. Accordingly, to improve the efficiency, we should try to reduce time of both retrieving object and displaying them. The former can be achieved with the aid of spatial index such as R-tree, the latter require to simplify the objects. Simplification means that objects are shown with sufficient but not with unnecessary detail which depend on the scale of browse. So the major problem is how to retrieve data at different detail level efficiently. This paper introduces the implementation of a multi-scale index in the spatial database SISP (Spatial Information Shared Platform) which is generalized from R-tree. The difference between the generalization and the R-tree lies on two facets: One is that every node and geometric object in the generalization is assigned with a importance value which denote the importance of them, and every vertex in the objects are assigned with a importance value,too. The importance value can be use to decide which data should be retrieve from disk in a query. The other difference is that geometric objects in the generalization are divided into one or more sub-blocks, and vertexes are total ordered by their importance value. With the help of the generalized R-tree, one can easily retrieve data at different detail levels.Some experiments are performed on real-life data to evaluate the performance of solutions that separately use normal spatial index and multi-scale spatial index. The results show that the solution using multi-scale index in SISP is satisfying.     

Jane Eyre——A Feminist In The 19th Century

In the 19th century the society was controlled by men, and women were just appendants of them, they had not any rights and freedom. But Jane was an exception, she showed some characteristics of early feminist. Jane showed her characteristics of feminism in three aspects: rebellion, equality, and independence. These characteristics were helpful to her success, and feminism is the only way out for women of that time.     

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-