线性代数网上学习系统的开发与研究

本文简要介绍线性代数学习网站的系统研究与开发设计．涉及到网络数据库、ASP、界面设计等多种技术.该线性代数网上学习系统为老师和学生提供了交流平台，其界面美观、操作简便．具有良好的应用前景.     

Evaluation of the stability and analysis of halogenated furanones in disinfected drinking waters

A refined method for the sub-nanomolar analysis of 13 halogenated furanones in chlorinated drinking water is proposed which uses liquid-liquid extraction, methylation where necessary, gas chromatographic separation, and either micro-electron capture or ion trap mass spectrometric detection. Liquid-liquid extraction with methyl tert-butyl ether was demonstrated to be effective for recovery of halogenated furanones. Confirmation of the halogenated furanones identity and reduction of natural organic matter interference were achieved by ion trap tandem mass spectrometry. Compound stabilities and procedural efficiencies were evaluated to permit optimization of the method for reasonable sample volumes and a 1000:1 pre-concentration factor that would permit feasible sample collection in the field. Both chlorinated and brominated analogues of MX (3-chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone) were included in a suite of compounds targeted in a national occurrence study of disinfection by-products.     

New derivatization method for determination of 3-chloro-4(dichloromethyl)-5-hydroxy-2(5H)-furanone in water

An extremely potent mutagen, 3-chloro-4(dichloromethyl)-5-hydroxy-2(5H)-furanone (MX) is commonly present in chlorinated drinking water. Due to its high mutagenic activity and according to World Health Organization guidelines its concentration should be controlled in drinking waters. Determination of MX is difficult due to ppt levels at which the compound usually exists in drinking waters. Derivatization of MX with 2-propanol is presented as a method which significantly lowers the GC–MS detection level compared to other alcohol derivatization agents.     

基于i.MX35的工程机械显示终端设计

工程机械显示终端是重要的人机交互界面,随着工程机械控制系统信息化和智能化水平的不断提高,对车载显示终端也提出了越来越高的要求。为了满足需求,研制了基于i.MX35的工程机械显示终端,该显示终端以i.MX35多媒体应用处理器为核心,采用CODESYS作为应用编程平台,实现了人机界面显示、CAN总线通信、摄像头视频采集、大容量数据存储等功能,具有显示性能强大、启动速度快、应用编程灵活、易于扩展等特点,可以广泛应用于各种工程机械控制系统中。     

Electronic structures and chemical bonding in diatomic ScX to ZnX (X = S, Se, Te)

Bond distances, vibrational frequencies, electron affinities, ionization potentials, dissociation energies, and dipole moments of the title molecules in neutral, positively, and negatively charged ions were studied using density functional method. Ground electronic state was assigned for each molecule. The bonding patterns were analyzed and compared with both the available data and across the series. It was found that, besides ionic component, covalent bonds are formed between the metal s, d orbitals, and the p orbital of S, Se, and Te. For neutral and cationic molecules, the covalent character increases from ScX to CrX and from FeX to CuX with an exception of decrease at MnX and ZnX, while for anionic molecules, the trend is not obvious. For both neutral and charged molecules, the sulfides have the shortest bond distance and largest vibrational frequency, while tellurides have the largest bond distance and smallest vibrational frequency. For neutral and anionic molecules, the dissociation energy of sulfides is the largest, that of tellurides is the smallest, while this only remains true for cationic molecules from ScX(+) to FeX(+).     

难熔固体MX(M=Sc,Ti,V;X=C,N,O)电子结构和力学性质的密度泛函研究

采用密度泛函方法对MX(M=Sc,Ti,V;X=C,N,O)固体的体相电子结构和力学性质进行了系统研究.计算结果表明,对于金属原子相同的同一系列化合物,氮化物具有最大的体模量;进一步的研究可知,随着外界压力的增大,化合物由NaCl构型向CsCl构型转变由易到难的顺序依次是氧化物、氮化物和碳化物.本文还首次用密度泛函方法系统地计算了各化合物的能带结构和态密度,并对该类型化合物的导电性能进行了探讨.     

Progres report

This paper provides a brief resumé of our current researches in organometallic chemistry. The first deals with non-classical organolanthanoid chemistry, which has, as targets, subvalent compounds of the early 4f elements (La, Ce, Pr, Nd) and cationic organosamarium(II) and -ytterbium(II) complexes. The second is concerned with new aspects of metal amide chemistry including (a) silver(I) amides and isonitrile complexes of lithium amides; (b) derivatives of aromatic diamides such di(metalamino)cyclophanes; (c) metal silyl complexes derived from insertion of a stable silylene into M(II)---N(SiMe₃)₂ (M = Ge, Sn or Pb) bonds; and (d) reactions of M′---X compounds with 1,3,5-triazine [M′ = Li or Na and X = N(SiMe₃)₂, C(SiMe₃)₃ or CH(SiMe₃)₂] The two other present areas (on subvalent compounds of Group 14 elements and metal 1-azaallyls, β-diketiminates and 1,3-diazaallyls) are reported more cursorily. The Introduction is divided into three section entitled ‘Relationship to the Journal of Organometallics Chemistry’, ‘Reviews (from 1956 to 1995)’ and ‘An outline of principal contributions’.     

A new set of bending Td symmetry coordinates for MX4 molecules

The conventional set of T_d symmetry coordinates for the bending modes of MX₄ molecules can lead to ambiguous geometries when displacements from equilibrium are large. It is proposed here to use internal coordinates that are haversines of the bending angles divided by their sum. The A₁ representation becomes a constant, enabling recovery of the bending angles unambiguously, analytically, and without approximation. © 2013 Wiley Periodicals, Inc.     

Interfacial defect engineering and photocatalysis properties of hBN/MX2 (M = Mo,W, and X = S,Se heterostructures

Van der Waals (VDW) heterostructures have attracted significant research interest due to their tunable interfacial properties and potential applications in many areas such as electronics, optoelectronic, and heterocatalysis. In this work, the influences of interfacial defects on the electronic structures and photocatalytic properties of hBN/MX₂ (M = Mo, W, and X=S, Se) are studied using density functional theory calculations. The results reveal that the band alignment of hBN/MX₂ can be adjusted by introducing vacancies and atomic doping. The type-I band alignment of the host structure is maintained in the heterostructure with n-type doping in the hBN sublayer. Interestingly, the band alignment changed into the type-II heterostructrue due to V_B defect and p-type doping is introduced into the hBN sublayer. This can conduce to the separation of photo-generated electron-hole pairs at the interfaces, which is highly desired for heterostructure photocatalysis. In addition, two Z-type heterostructures including hBN(Be_B)/MoS₂, hBN(Be_B)/MoSe₂, and hBN(V_N)/MoSe₂ are achieved, showing the decreasing of band gap and ideal redox potential for water splitting. Our results reveal the possibility of engineering the interfacial and photocatalysis properties of hBN/MX₂ heterostructures via interfacial defects.