C2（a 3Πu）+NO 的反应机理研究

在G2 (CC ,MP2 )理论水平上研究了C2 (a3 Πu)自由基与NO分子的反应 .计算了反应体系最低二重态势能面上各驻点的构型参数、振动频率和能量 ,揭示了此反应存在两种反应机理 :由NO中的O原子进攻C2 自由基形成CCON中间体的CCON机理和NO中的N进攻C2 自由基形成CCNO中间体的CCNO机理 ,分析了对应与这两种反应机理的五个可能的反应通道 ,得出了由NO中的N原子进攻3 C2 自由基 ,生成中间体CCNO自由基 ,最终得到产物CN +CO的通道是最有利的通道 .     

An Improved Synthesis of Retinoic Acid from β-Ionone

A convenient and large-scale preparation of retinoic acid 1 from β-ionone in five steps with 38% overall yield is described.The key steps are the epoxidization of 2 with a new methylated agent and the condensation 4 with tetraethyl methylenediphophonate in one-pot procedure to prepare 6.     

Silane photoabsorption spectra mear the Si 2p thresholds：the geometry of Si 2p excited SiH4

Based on the multiple-scattering self-consistent-field method, we have studied the photoabsorption spectra near the Si 2p thresholds of silane. According to our calculations, the clear assignments of the inner-shell photoabsorption spectra are provided. In comparison with the high-resolution experimental spectra, the geometric structure of the Si 2p-excited SiH_{4}^{**} is recommended to be of a C_{2v} symmetry. More specifically, the Si 2p-excited SiH_{4}^{**} have two bond lengths of 2.50 a.u. and another two bond lengths of 2.77 a.u., and the corresponding two bond angles are 104.0° and 112.5° respectively.     

Duffing-van der Pol振子随机分岔的全局分析

应用广义胞映射方法研究了参激和外激共同作用的Duffing-van der Pol振子的随机分岔.以 系统参数通过某一临界值时，如果系统的随机吸引子或随机鞍的形态发生突然变化，则认为 系统发生随机分岔为定义，分析了参激强度和外激强度的变化对于随机分岔的影响.揭示了 随机分岔的发生主要是由于系统的随机吸引子与系统的随机鞍碰撞产生的.分析表明，广义 胞映射方法是分析随机分岔的有力工具，这种全局分析方法可以清晰地给出随机分岔的发生 和发展. 关键词： 随机分岔 全局分析 广义胞映射方法 随机吸引子 随机鞍     

Bi12TiO20纳米粉体的制备及其光吸收特性研究

以钛酸四丁酯和硝酸铋为原料 ,利用化学溶液分解法制备了Bi12 TiO2 0 纳米多晶粉体 .采用XRD和TEM对其结构和形貌进行了表征 .结合热重 差热 (TG DTA)分析 ,探讨了Bi12 TiO2 0 晶相的形成机理 .通过UV Vis漫反射谱的测定 ,研究了Bi12 TiO2 0 纳米晶粉体的光吸收特性 .结果显示 ,从组成为化学计量比的前驱液中可以很容易制得纯Bi12 TiO2 0 纳米晶粉体 ,该Bi12 TiO2 0 纳米晶粉体呈现了在很宽的波长范围内 (5 6 0～ 385nm )对光的吸收的特性 .     

Measured equation of invariance with linear tensor relation for three-dimensional scattering problems

The postulate of a linear tensor relation in the measured equation of invariance (MEI) is proposed for three-dimensional (3D) problems. As a result, all three components of the field vector to be solved are coupled in the MEI. Combined with the finite difference method, the present method is applied to the analysis of scattering by 3D conducting objects and results in a significant improvement in the accuracy of numerical results as compared to those obtained with an uncoupled linear relation.     

基于非锐化掩模的实时自适应图像增强算法

针对传统的非锐化掩模算法的局限性,依据图像中各像素点及以其为中心的若干相邻像素点的均方差值,提出了自适应图像增强算法的原理,并分析其硬件实现方法,然后给出了该算法与其它算法应用于图像增强的对比结果,最后在FPGA（field programmable gate array）实验板上进行验证.实验结果表明,此算法有效的增强图像的细节区域,防止图像边缘区域出现过冲现象,抑制图像平坦区域的噪声放大.因此,该算法取得了良好的视觉效果,硬件实现简单,适合于实时条件下图像的增强.     

平面波谱法分析电磁波在管道中的传播

通过分析电磁波从管道开口耦合进入管道的绕射机理及场在腔体内的射线特征，将进入管道的绕射场展开为平面波谱，利用平面波在自由空间的传播特性分析了电磁波沿管道的传输和反射特征。通过算例验证了该算法的有效性。     

Complex amplitude estimation in the known steering matrix and generalized waveform case

We consider a special growth-curve (SGC) model with a known steering matrix and generalized waveform in the presence of unknown interference and noise. Several estimators of the complex amplitude based on this model are derived, including the methods of approximate maximum likelihood (AML), minimum variance distortionless response (MVDR), and amplitude and phase estimation (APES). We analyze the statistical properties of these estimators and show that in the presence of temporally white but spatially correlated noise and interference, AML is asymptotically statistically efficient for a large snapshot number while MVDR and APES are asymptotically equivalent but not statistically efficient. Via several numerical examples, we also show that when the noise and interference are both spatially and temporally correlated, the APES estimator can achieve better estimation accuracy and exhibit greater robustness than the other methods.     

Moisture barrier of AlxOy coating on poly(ethylene terephthalate), poly(ethylene naphthalate) and poly(carbonate) substrates

The moisture barrier property of Al_xO_y coated poly(ethylene terephthalate) (PET), poly(ethylene naphthalate) (PEN) and poly(carbonate) (PC), have been investigated. The differences in the morphology of the Al_xO_y sputtered grown on these substrate were investigated using atomic force microscopy (AFM). The initial growth of the Al_xO_y followed closely the topology of the substrate and an amplified roughness was observed. In the fully grown Al_xO_y, the comparative roughness followed that of the substrates. It has been found that a single layer Al_xO_y improved the moisture barrier of PET by an order of magnitude, PC by two orders of magnitude while no improvement was observed for PEN. UV-ozone treatment on PC further improved the moisture barrier, while no improvement was observed for PET and PEN. The comparative effects of the substrate surface roughness and surface energy on the moisture barrier are discussed.