CBHe^n＋（n=0,1,2）元素簇合物的量子化学研究

用ａｂ ｉｎｉｔｉｏ研究了元素簇合物ＣＢＨｅ＾ｎ＋（ｎ＝０，１，２）基态的三种平衡几何构型，即线型Ｃ－Ｂ－Ｈｅ＾ｎ＋，Ｂ－Ｃ－Ｈｅ＾ｎ＋和Ｔ型ＣＢＨｅ（Ｔ）＾ｎ＋，讨论了其成键性质，势能曲线和稳定性。计算中采用了６－３１Ｇ＊＊，６－３１１Ｇ＊＊和６－３１１Ｇ（３ｄｆ，２ｐｄ）基组。所采用的方法有ＭＰ２（ＦＵＬＬ），ＭＰ４（ＳＤＴＱ）和ＳＴ４ＣＣＤ。研究结果表明，在元素簇合物ＣＢＨｅ＾ｎ＋中，Ｈｅ与     

含叠氮硝胺的低特征信号推进剂的热分解研究

应用高压ＤＳＣ（差示扫描量热法）、ＴＧ（热重法）和ＤＴＧ（差示热重法）了ＤＡＴＨ（１,７－二叠氮－２,４,６－三硝基氮杂庚烷）、ＲＤＸ（黑索金）单组分以脑ＲＤＸ－ＣＭＤＢ（复合改性双基推进剂）和ＣＤＡＴＨ－ＲＤＸ－ＣＭＤＢ推进剂样品的热分解,温度达２００℃时,首先暗ＤＡＴＨ中３个－ＮＯ２从主链上断裂分解,接着是一Ｎ３和其他残余分子在较短的时间剧烈地分解并释放出大量的热,在多组分体系中,ＤＡＴＨ与（     

Mn型分子筛的合成与表征

ＭｎＯ４＾－与Ｍｎ＾２＋在强碱性的条件下用氧化还原方法制得层状结构的Ｎａ－Ｂｉｒｎｅｓｓｉｔｅ,再经过离子交换与转晶,得到了由ＭｎＯ６八面体共边形成的具有３×３孔道结构的锰型分子筛（Ｔｏｄｏｒｏｋｉｔｅ）,它的孔径为０．６９ｎｍ。用Ｘ射线粉末衍射（ＸＲＤ）、傅立叶变换红外光谱（ＦＴ－ＩＲ）、ＢＥＴ、航向电镜（ＴＥＭ）等方法对其性质进行了表征。研究表明Ｔｏｄｏｒｏｋｉｔｅ具有良好的热稳定性,且有较强     

CaTi0.9Li0.1O3—δ晶格中氧空位与选择性活性氧物种的TG …

用常规ＴＧＡ（程序升温热重分析）法间接表征了催化剂ＣａＴｉ０．９Ｌｉ０．１Ｏ３－δ晶格中的氧空位，关联了氧空位、可活动氧量与催化剂的乙烷氧化脱氢（ＯＤＨＥ）反应的催化性能，提出了乙烷在该类催化剂上氧化脱氢的选择性氧物种为８７３～１０２３Ｋ的温度范围内脱附的所谓可活动氧（Ｏ＾－，Ｏ＾２－，Ｏ＾２－２简写为Ｏ＾δ－１）。利用Ｏ２－ＴＰＤ－ＭＳ鉴定了ＴＧＡ结果，证明了该法简便、实用、可靠。     

C60化学修饰的PMMA的合成与表征

研究了用萘钠引发的一步法阴离子聚合反应合成不同Ｃ６０含量的Ｃ６０化学修饰的聚甲基丙烯酸甲酯（Ｃ６０－ＰＭＭＡ）,利用傅立叶变换红外吸收光谱（ＦＴ－ＩＲ）,紫外－可见吸收光谱（ＵＶ－ＶＩＳ）、热重分析（ＴＧＡ）、ＧＰＣ等方法研究了不同Ｃ６０含量对聚合物性质的影响,利用＾１３Ｃ核磁共振谱＾１３Ｃ－ＮＭＲ证明了Ｃ６０与聚甲基丙烯酸甲酯（ＰＭＭＡ）的共价健合,并采用分步法合成Ｃ６０－ＰＭＭＡ聚合物,初步探     

组氨酸的Keggin结构杂多金属氧酸盐的合成及性质研究

首次合成了组氨酸的Ｋｅｇｇｉｎ结构（ＸＭ１２Ｏ４０＾ｎ－,Ｘ＝Ｐ,Ｓｉ,Ｍ＝Ｗ,Ｍｏ）３种杂多金属氧酸盐化合物,用元素分析、ＩＲ、ＵＶ、ＴＧ－ＤＴＡ等方法对标事物进行了表征,结果表明该类化合物仍保持Ｋｅｇｇｉｎ结构、杂多酸阴离子和氨基酸靠静电作用相结合。     

富里酸氯化-消毒副产物生成的影响因子

３－氯－４－（二氯甲基）－５－羟基－２（５Ｈ）－呋喃酮（ＭＸ）及二氯乙酸（ＤＣＡ）和三氯乙酸（ＴＣＡ）是氯化消毒副产物（ＤＢＰｓ）研究的重点。水体中的腐殖质,特别是富里酸,是饮用水消毒副产物的重点前驱物。从太湖底泥中提取富里酸,进行模拟氯化,用ＧＣ／ＭＳ测定生成的ＭＸ和氯代酸,研究氯化条件对ＭＸ、ＤＣＡ及ＴＣＡ生成量的影响。结果发现,ＭＸ、ＤＣＡ、ＴＣＡ的生成量与总有机碳（ＴＯＣ）浓度呈正性相关;     

杂多阴离子层柱双氢氧化物（LDH—HPOMs）的热性质研究

采用ＴＧ、ＤＳＣ和ＸＲＤ等手段研究了多酸层柱双氢氧化物Ｍｓ２Ａｌ－ＸＷ１１Ｚ（Ｍ＝Ｃｏ＾２＋,Ｎｉ＾２＋;Ｘ＝Ｓｉ＾４＋,Ｇｅ＾４＋,Ｂ＾３＋;Ｚ＝Ｃｕ＾２＋,Ｎｉ＾２＋,Ｃｏ＾２＋）在空气气氛中的热解过程,得到了Ｃｏ２Ａｌ－ＸＷ１１Ｚ系列化合物的三步热分解机理和热稳定性序列,而对于Ｎｉ２Ａｌ－ＸＷ１１Ｚ系列化合物,则表现出不同的热解过程。     

二价阳离子甲酸盐热分解行为研究

本文用ＴＧ－ＤＴＧ－ＤＴＡ技术研究了二价阳离子（Ｍｇ、Ｃａ、Ｓｒ、Ｂａ、Ｃｕ、Ｚａ、Ｃｄ、Ｍｎ、Ｃｏ和Ｎｉ）甲酸盐热分解行为．结果表明二价阳离子甲酸盐热分解的产物有五种类型．     

不同碱源对合成MCM-48介孔分子筛的影响

利用水热晶化法,以Ｍ２Ｏ（Ｍ为Ｌｉ、Ｎａ、Ｋ）－水－ＣＴＡＢ－ＴＥＯＳ为原料合成了ＭＣＭ－４８介孔分子筛,比较了不同碱源对合成ＭＣＭ－４８分子筛的影响。结果表明ＮａＯＨ是最佳碱源。利用ＸＲＤ、ＴＧ—ＤＴＡ、Ｎ２吸附等对合成样品进行了表征     

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.     

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     

Call for Papers

<正>"The Journal of Shanghai Normal University:Mathematics"is published by Shanghai Normal University as regular issues of The Journal of Shanghai Normal University each year from 2014 in English.The editors-in-chief of the issues are professors Yuhao Cong and Maoan Han.The Journal of Shanghai Normal University was started in 1958 with     

Journal of Donghua University ( English Edition) Contents of Volume 31

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Brief Introduction to “Journal of Jilin University( Science Edition) ”

<正>"Journal of Jilin University(Science Edition)"is a comprehensive academic journal in the fields of science sponsored by Jilin University and administrated by the Ministry of Education of the Peoples Republic of China.The journal started publication in 1955.The original name at starting publication was"Journal of Natural Science of Northeast People University",which was changed into"Acta Scientiarum Naturalium Universitatis Jilinensis"in 1958 owing to the name change of the university.The present journal name has