基于智能代理的计算机辅助教学探讨

本文分析了计算机辅助教学的现状;提出了存在的若干问题;阐述了基于智能代理的计算机辅助教学系统的内容;分析了开发智能计算机辅助教学系统的发展方向.     

X波段六腔渡越管振荡器的高频特性研究

 从麦克斯韦方程出发，采用时域有限差分法（FDTD）和离散傅里叶变换（DFFT）相结合的方法，通过数值计算得出了六腔开放式谐振腔中前四个谐振频率和场分布，计算出的谐振频率与实验测量结果基本相同。比较了开放腔和封闭腔谐振频率，验证了TEM波吸收边界条件，并在实际编程计算中得以应用。计算结果为六腔渡越管振荡器的机理研究提供了依据。     

X波段五腔渡越管振荡器的理论与实验研究

 提出了一种新结构的X波段五腔渡越管振荡器，进行了理论和实验研究。根据场分布进行了一维非线性分析，结果表明该结构可以产生高功率微波，并判断了工作模式，为TM₀₁模的3π/5模。采用粒子模拟验证了一维非线性分析的结论，并优化设计出五腔渡越管振荡器,优化结果为：输出功率约1 GW， 工作频率9.3 GHz，束波转换效率约22%。实验中，通过参数调节，得到频率约9.25 GHz，峰值功率约780 MW，脉宽（半高宽）21 ns的输出微波，束波转换效率约为16%。实验结果与模拟结果基本符合。     

A New One-dimensional Complex Assembled by 4-Nitrobenzoic Acid and Bis(imidazol) Ligands:Syntheses,Structures and Theoretical Calculations

A new Zn(Ⅱ)coordination polymer,[Zn(nba)_2(mbix)]_(2n)(1,Hnba=4-nitrobenzoic acid,mbix=1,3-bis(imidazol-1-ylmethyl)-benzene),was synthesized and characterized by elemental analyses,IR spectra,TG,fluorescence spectroscopy,single-crystal and powder X-ray diffractions.It belongs to the triclinic system,■ space group,with a=9.341(2),b=13.029(3),c=23.660(6)?,α=99.603(6)°,β=90.461(6)°,γ=90.597(5)°,V=2838.9(12)?~3 and Z=2.It shows one-dimensional chains which are further linked by C–H···O hydrogen bonds andπ-πstacking interactions to yield a three-dimensional supramolecular structure.In addition,the Natural Bond Orbital(NBO)was analyzed in using the PBE0/LANL2DZ method built in Gaussian 09 Program.The calculation results indicated obvious covalent interaction between the coordinated atoms and Zn(Ⅱ)ion.     

Hydrothermal Synthesis and Crystal Structure of a Cadmium（Ⅱ） Polymer with One-dimensional Chain Structure： [Cd（MDPPz）（BDC）（H2O）]n

A metal-organic coordination compound formulated as [Cd(MDPPz)(BDC)(H2O)]n 1 (MDPPz=11-methyldipyrido[3,2-a:2',3'-c]phenazine,BDC=1,4-benzenedicarboxylate) has been hydrothermally synthesized and structurally characterized by elemental analysis,IR spectrum,fluorescence spectrum and single-crystal X-ray diffraction. The title compound crystallizes in the monoclinic system,space group C2/c,with a=30.673(8),b=9.623(3),c=20.784(6) ,β=98.646(3)o,V=6065(3)3,C27H17CdN4O5,Mr=589.85,Dc=1.292 g/cm3,μ(MoKα)=0.757 mm-1,F(000)=2360,Z=8,the final R=0.0381 and wR=0.0855 for 4191 observed reflections (I>2σ(I)). 1 exhibits blue fluorescence property at room temperature.     

Effects of double substitution on the thermodynamic stabilities of nitrogen radicals

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BNAH还原质子化N—芳基芴亚胺反应的热力学及机理研究

利用热力学循环方法，通过ｐＫ和有关电化学数据的测定，首次得到了ＮＡＤ（Ｐ）Ｈ的辅酶模型物（ＢＮＡＨ）按不机理还原质子化Ｎ－芳基芴亚胺的各基元步骤的自由能变化，结合得到的同位素标纪结果，从热力学趋动力的角度区分了氢负离子的转移机理。     

高配位双环氮氧杂有机锡化合物在二甲亚砜溶剂中的酸性解离常数

本文报道了在DMSO溶剂中利用Bordwell指示剂重迭法测定六种高配位双环氮氧杂有机锡化合物的α-CH的酸性离解常数(pKa)的方法, 并对配合物的结构与其α-CH酸性的关系进行了讨论。     

三(2-氨基乙基)胺-镉(Ⅱ)-2-甲基咪唑三元配合物的合成、结构与抗微生物活性

The complex [Cd(tren)(meim)](ClO₄)₂ was synthesized and characterized by elemental analysis, IR and X-ray single-crystal diffraction. The compound crystallizes in monoclinic system, space group P2₁/m with a=0.786 8(2) nm, b=0.834 2(2) nm, c=1.496 2(4) nm, M_r=538.64, Z=2, F(000)=542, D_c=1.822 g·cm^-3, T=298(2) K, μ=1.435 mm^-1 and λ=0.071 073 nm. The structure was refined to R=0.045 8 and wR=0.123 1 for 1 489 observed reflections with I>2σ(I). The complex was valued for its antimicrobial activity against bacterial strands using the agar diffusion method. It was found to be active against the four test bacterial organisms. CCDC: 600198.     

邻、对甲酚与对二甲苯固液平衡

为结晶提纯邻甲酚和对甲酚,采用差示扫描量热法测定了邻甲酚和对甲酚分别与对二甲苯二元固液平衡数据,同时绘制出相应的简单低共熔型二元相图.低共熔组成和温度为:邻甲酚 (x) 对二甲苯 (1 -x),x=0.420 5,T=271.82K;对甲酚(x) 对二甲苯(1-x),x=0.459 8,T=272.52K.采用Ott方程对固液平衡数据进行关联,温度标准偏差不大于 0. 8K;根据固液平衡热力学基本关系,应用UNIFAC基团贡献法计算溶液活度系数,所得固液平衡计算值和实验值比较接近,说明UNIFAC法对以上体系是适用的.