Synthesis, crystal structure and magnetic property of the novel dinuclear nickel(II) complex with 4-(p-methoxyphenyl)-3,5-bis(pyridine-2-yl)-1,2,4-triazole

A novel dinuclear nickel(II) complex, [Ni₂(MOBPT)₂Cl₂(H₂O)₂]Cl₂ · 7H₂O (MOBPT = 4-(p-methoxyphenyl) −3,5-bis(pyridine-2-yl)-1,2,4-triazole), has been synthesized and characterized by elemental analysis, IR and single crystal X-ray diffraction methods. The crystal structure determination shows that the dinuclear Ni₂N₈ unit is almost planer in which each Ni^II ion is coordinated by four nitrogen atoms from MOBPT equatorially and a water molecule and a chloride ion axially in a distorted octahedral geometry. Magnetic measurements reveal a relatively weak antiferromagnetic exchange in the complex.     

Theoretical study of the surface energy and electronic structure of pyrite FeS2 (100) using a total-energy pseudopotential method, CASTEP

The geometric and electronic structures of FeS(2) (100) surface have been studied by a quantum-mechanical calculation using a total-energy pseudopotential code, CASTEP. The (100) surface is very stable and does not give any significant geometric relaxation. The electronic structure of FeS(2) (100) surface is characterized by the appearance of new native surface states in the bulk band gap, which correspond to antibonding mixed Fea-Ssp(3) states. These surface states play an important role as mediators of electron transfer on both anodic and cathodic sites in the incipient oxidation of pyrite. Moreover, the (100) surface has small band gaps and shows some metallic character. It is predicted that the rate of cathodic reductive reaction of O(2) in the incipient oxidation of pyrite is much faster than previously considered. The transport of electrons from the anodic sites to the cathodic sites on the (100) surface is faster and hole injection of anodic sites is not the rate-determining step. So we can deduce that the rate-determining step of incipient oxidation for pyrite consists of both electron transfer of pyrite/aqueous O(2) interface and the splitting of H(2)O.     

SYNTHESIS AND CHARACTERIZATION OF PHTHALAZINONE POLY(ARYL ETHER SULFONE KETONE)WITH CARBONYL GROUP*

A kind of novel heat-resistant, high performance engineering thermoplastic phthalazinone poly(aryl ether sulfoneketone) (PPESK) containing a carboxyl group in its side chain was prepared by the nucleophilic displacement reaction of 4-(4-hydroxylphenyl)-1(2H)-phthalazinone with di(4-chlorophenyl) sulfone, 4,4'-difluoro-benzophenone and phenolphthalin insulfolane in the presence of K_2CO_3 to produce high molecular weight polymers which can be dissolved in some polarsolvents such as chloroform and nitrobenzene at room temperature and can be easily can into flexible, yellowish andtransparent films. PPESK is an amorphous polymer having a decomposition temperature above 400℃, which indicates that ithas high thermal stability. At the same time, the thermal properties of PPESKs with dicyandiamide (DICY) as curing agentindicated that the heat-resistance properties of the PPESKs are improved after curing. The apparent activation energy (ΔE) ofthe cross-linking reaction and the reaction order (n) of PPESK/DICY were found to be 52.2 kJ/mol and ca. 1.0, respectively.Therefore, the cross-linking reaction is approximately a first order reaction.     

Regioselective synthesis of 1,2,3-triazole derivatives via 1,3-dipolar cycloaddition reactions in water

Reaction of an arylacetylene with an azide in hot water gave 1,4-disubstituted 1,2,3-triazoles in high yields, while similar reaction between a terminal aliphatic alkyne and an azide (except m-nitroazidobenzene) afforded a mixture of regioisomers with the ratio of 1,4- to 1,5-isomers ranging from 3:1 to 28.6:1. Reactions of m-nitroazidobenzene with either arylalkynes or aliphatic alkynes formed only 1,4-disubstituted derivatives in excellent yields.     

在非时齐马氏决策过程中的动态贝叶斯网络研究

提出了用动态贝叶斯网络（DBN）对非时齐马氏决策系统进行建模的改进方法，使动态贝叶斯网络能被更广泛地应用于各种复杂的真实系统中．该方法的基本思路是，将扩展后的隐藏变量引入DBN的演化过程来建立假设条件所要求的马尔可夫模型，给出从不完整的样本数据集以及存在隐藏变量时来学习DBN结构的算法，进而用贝叶斯概率统计方法对后来的时间片的充分统计因子进行估计，并通过当前已存在的和估计的充分统计因子对基于时间变化的转移概率进行学习，以解决假设条件要求的转移概率的时不变性．原理性分析和仿真实验结果也验证了改进方法的有效性．     

氧化态锰相互转化的实验教学研究

针对锰的氧化态多样、颜色变化丰富的特点，引导学生重点对锰（Ⅵ）和锰（Ⅲ）的生成与歧化反应的转化条件进行了试验，对试剂用量、反应温度、溶液pH值等影响反应方向与现象的因素进行了探讨，并对研究性实验教学问题浅述见解。     

Matlab软件与专业课程的整合教学研究

分析了面向科学与工程计算的高级语言Matlab教学模式研究的现状，提出在搞好基础教学的同时，将Matlab的教育整合到其他专业课程教学中，探索了Matlab与专业教学整合的必要性、内涵、教学原则、模式等，并就如何实施高级语言的教学与各学科课程的整合提出作者自己的看法。     

两种测量理论(CTT和IRT)的分析与比较

针对两种测量理论(CTT和IRT)进行了分析和比较，提出在试题参数确定上的做法可以根据具体情况，以IRT在试题参数测试的不变性为基础，充分利用CTT的优点，抓住IRT与CTT的统计结果之间存在的相关性．取两者之所长，将两者有机地融合，实现客观评价教育质量的目的。     

一类次线性Hamilton系统的次调和解

运用极小极大方法得到一类局部强制的次线性Hamilton系统的次调和解的存在性定理.     

太原市对区外高新技术企业列入科技型中小企业发展专项予以支持——访太原市科学技术局政策法规与条件财务处处长史宝刚

为了促进太原市高新技术产业的发展，进一步鼓励和调动县（市、区）发展高新技术企业的积极性．根据《国家高新技术产业开发区外高新技术企业认定条件和办法》和《中共太原市委太原市人民政府关于进一步加强科技工作推动区域科技创新体系建设的意见》，太原市科学技术局于2005年8月7日，发布了《关于太原市区外高新技术企业列入科技型中小企业发展专项予以支持的通知》（以下简称《通知》）。日前，本刊记者就《通知》的有关内容及区外高瓶技术企业关注的问题，采访了太原市科技局政策法规与条件财务处史宝刚处长，现将采访内容刊登如下。