Sb2Te3及其固溶体的电子结构

以Ｓｂ２Ｔｅ３及固溶体材料的制备与测试数据为依据，采用量子化学的理论及近似方法，计算得出材料的电荷分布，态密度，能级等结果，与实验数据基本一致。其结果对材料的研制具有指导意义。     

PC／104总线式多道脉冲幅度分析器的设计

介绍了PC／104嵌入式微机总线的结构和功能，并研制了总线式多道脉冲幅度分析器（MCA）。该MCA以PC／104嵌入式微机为控制核心，采用总线方式实现系统通信和数据传输，由于总线方式速度比较快，因此可实现现场实施采集和显示谱线。在硬件上全部采用高速低功耗CMOS器件，降低了整机功耗，体积小，重量轻，适合于野外现场工作。在软件上采用C语言与汇编语言混合编程，提高了信号处理速度。同时由于采用了单任务DOS操作系统，软件运行更稳定，操作更简单。通过现场测试，该仪器工作正常、可靠，适合野外工作。     

基于多媒体存储卡的MMC串行通信协议及其应用

介绍三星电子研发的多媒体存储卡的MMC串行通信协议的总线拓扑结构、存储体阵列分区、命令格式与命令集合、响应格式与响应意义以及各种读写操作时序和实际应用.     

无序二元合金（NixCu1-x）表面CO吸附及对表面偏析的影响

根据计算机编程构造出了存在和不存在表面偏析的无序二元合金Ni_xCu_1-x（x=0.4）的原子集团模型，然后按覆盖度θ=0.5，构造出了CO表面吸附的模型 ，应用Recursion方法计算了CO在（Ni_xCu_1-x）（存在偏析和不存在偏析时）合金表面不同位置（顶位和芯位）吸附的电子结构 .由此得出：1)CO在顶位吸附时较稳定；2)CO吸附使合金表面态密度峰降低，带宽加宽，使d轨道的局域性变弱；3)CO的吸附抑制了Cu 关键词： 化学吸附 表面偏析 Recursion方法 态密度     

Diversity‐oriented synthesis

Diversity‐oriented synthesis (DOS), which describes the synthesis of structurally diverse collections of small molecules, was developed, in part, to address combinatorial chemistry's shortfalls. In this paper, we hope to give an indication of what can be achieved using the DOS approach to library generation. We describe some of the most successful strategies utilized in DOS, with special focus on our own area of interest; DOS from simple, pluripotent starting materials. © 2008 The Japan Chemical Journal Forum and Wiley Periodicals, Inc. Chem Rec 8: 129–142; 2008: Published online in Wiley InterScience ( www.interscience.wiley.com ) DOI 10.1002/tcr.20144     

空间机械臂直接驱动、挠性的输入成型控制

针对空间环境和空间任务的特殊性,以空间机械臂模拟实验系统为研究对象,利用空间机械臂动力学模型,设计了脉冲输入成型器.它借助输入成型技术的前馈控制方法,有效地消除机械臂完成跟踪运动的余振动,实验证明:该系统的运动状况能够满足控制系统的要求.     

炮兵营系统效能分析模型的建立

通过对炮兵营系统作战机制的分析 ,将层次分析法和美国工业界系统效能咨询委员会 (WSEIAC)提出的系统效能分析模型结合 ,建立了一个炮兵营系统效能分析模型。利用该模型对炮兵营系统内各要素进行灵敏度分析 ,为炮兵营战术和射击指挥程式的优化 ,以及系统内各要素的编制数量和武器装备战术技术性能指标的确定提供理论依据。     

结构方程模型的偏最小二乘算法及其几何意义

对含两个潜变量结构方程模型的偏最小二乘（PLS）建模技术进行了研究,给出了相应的路径图、模型设定步骤和求解算法,指出该方法本质上是一种迭代收敛算法.通过引入一种新的算符,给出了PLS算法命令图.并且基于命令图详细讨论了该算法在多维向量空间中的几何意义,在此基础上分析了不同权重关系（A型与B型）对算法的影响,得到了与其对应的各种几何图形.最后指出在算法已收敛与尚未收敛两种情况下,潜变量估计值的投影位置是不同的.     

Ground state electronic and magnetic properties of RCrSb3 (R=La, Ce, Nd, Gd and Dy): A first principles study

The electronic density of states (DOS) and magnetic moments of rare-earth antimonides (RCrSb₃) have been studied by the first principles full-potential linearized augmented plane wave (FP-LAPW) method based on density functional theory (DFT). For the exchange-correlation potential, the LSDA+U method is used. The effective moments of LaCrSb₃, CeCrSb₃, NdCrSb₃, GdCrSb₃, and DyCrSb₃ were found to be , , , and respectively. The exchange-splittings of Cr-3d state electrons and 4f-states of rare earth elements were analyzed to explain the magnetic nature of these systems. The Cr atom plays a significant role on the magnetic properties due to the hybridization between Cr-3d and Sb-5p state orbitals. The results obtained are compared and found to be in close agreement with the available data.     

General Route for the Preparation of Diverse 17-Membered Macrocycles Based on RCM and Examination of the E/Z Selectivity

A convergent, general synthetic route to 17-membered macrocycles was developed to support biological evaluation and structure–activity relationship (SAR) studies during phenotypic screening for immunology targets. A series of amide coupling reactions led to a ring-closing metathesis (RCM) precursor that was cyclized using Grubbs' catalysts. It was found that the reaction formed the macrocyclic products in a 3:1 ratio of E/Z isomers. Moreover, it was shown that a number of similarly substituted RCM precursors undergo cyclization to produce the geometric E/Z isomers in roughly the same 3:1 ratio. The remarkable independence of the E/Z outcome from the substitution pattern of the RCM precursor makes this synthetic approach generally applicable. Separation of the E/Z isomers was achieved by preparative high-performance liquid chromatography and allowed biological profiling of the geometric isomers. Reactive groups in the macrocycle were utilized for late-stage modifications in the fashion of diversity-orientated synthesis (DOS), yielding analogs for SAR studies.