Structures and spectroscopic properties of nonperipherally and peripherally substituted metal-free phthalocyanines: a substitution effect study based on density functional theory calculations

The molecular structures, molecular orbitals, atomic charges, electronic absorption spectra, and infrared (IR) and Raman spectra of a series of substituted metal-free phthalocyanine compounds with four (1, 3, 5, 7) or eight (2, 4, 6, 8) methoxyl (1, 2, 5, 6) or methylthio groups (3, 4, 7, 8) on the nonperipheral (1-4) or peripheral positions (5-8) of the phthalocyanine ring are studied by density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations. The calculated structural parameters and simulated electronic absorption and IR spectra are compared with the X-ray crystallography structures and the experimentally observed electronic absorption and IR spectra of the similar molecules, and good agreement between the calculated and experimental results is found. The substitution of the methoxyl or methylthio groups at the nonperipheral positions of the phthalocyanine ring has obvious effects on the molecular structure and spectroscopic properties of the metal-free phthalocyanine. Nonperipheral substitution has a more significant influence than peripheral substitution. The substitution effect increases with an increase in the number of substituents. The methylthio group shows more significant influence than the methoxyl group, despite the stronger electron-donating property of the methoxyl group than the methylthio group. The octa-methylthio-substituted metal-free phthalocyanine compounds have nonplanar structures whose low-lying occupied molecular orbitals and electronic absorption spectra are significantly changed by the substituents. The present systematical study will be helpful for understanding the relationship between structures and properties in phthalocyanine compounds and designing phthalocyanines with typical properties.     

A scalable delay based analytical framework for CSMA/CA wireless mesh networks

We present an analytical framework for the performance analysis of CSMA/CA based wireless mesh networks. This framework can provide an accurate throughput-delay evaluation for both saturated and unsaturated cases. An efficient algorithm that determines the collision domain for each node based on both the interference range and routing in the network is presented. As another important application of this framework, we develop an analytic model that enables us to obtain closed form expressions for delay in terms of multipath routing variables. A flow-deviation algorithm is used to derive the optimal flow over a given set of routes for any number of classes. The model takes into account the effects of neighbor interference and hidden terminals, and tools are provided to make it feasible for the performance analysis and optimization of large-scale networks. Numerical results are presented for different network topologies and compared with simulation studies.     

微机原理教学中几个问题的探讨

随着计算机科学的发展和教学改革的深入,教师在微机原理课程的教学中遇到了一些新问题。文章对课程的定位和目标、传统与现代的关系、内容与课时的矛盾、理论和实践的协调以及研究性学习等几个问题进行了探讨。     

基于HJ-1高光谱数据的植被覆盖度估测方法研究

植被覆盖度是衡量地表植被状况的一个重要参数,在水文、生态等方面有重要意义,同时,也是影响土壤侵蚀与水土流失的主要因子,是评价土地荒漠化最有效的指标。以环境一号(HJ-1)小卫星上搭载的新型传感器HSI获取的高光谱数据为数据源,通过选择合适的植被指数建立了植被覆盖度反演模型——像元二分模型。然后运用该模型提取了新疆石河子地区的植被覆盖度信息。通过与地面样方数据进行交互比较,对HJ-1/HSI数据反演植被覆盖度的精度进行了评价。研究结果表明,HJ-1/HSI数据能够得到较高精度的植被覆盖度反演结果,在植被动态及全球变化研究领域具有潜在应用价值。     

An observer-based approach for the projection onto a 2d-curve under movement

Standard path control laws of autonomous vehicles use the shortest distance between the vehicle’s position and the path as a control error. In order to determine this distance, the projection point onto the path needs to be determined continuously. This requires fast algorithms that feature high numerical reliability in the field of vehicle application.This paper presents two different observer-based approaches for the projection problem. The identity observer reconstructs all states of interest for path control. The second one, a reduced observer, only possesses the curve parameter as a state and calculates the other values by algebraic formulas. Both algorithms consider the continuous movement of the vehicle, the run of the curve, and work without any approximation of the curve. Furthermore, they are applicable for arbitrary parameterized smooth curves, guarantee the required numerical stability, have short calculating time, and show good statistical properties. The performance is shown in several simulations as well as under real conditions.     

基于序列分析的僵尸网络检测模型

现有的IRC botnet检测技术不适合控制命令交互不频繁的botnet检测。为了实现小规模隐秘僵尸网络的检测,提出了一种基于序列分析的僵尸网络检测模型,对现有的被动检测技术进行补充。讨论了几种探测技术和检测算法,根据客户端响应类型选择检测算法,分析了平均检测轮数,只须观察少量的命令控制交互,能够对单个或多个IRC僵尸主机进行检测。实验结果表明,在保证误报率和漏报率的前提下该方法能在预定检测轮数内完成判定。     

Internetware: An Emerging Software Paradigm for Internet Computing

The Internet is undergoing a tremendous change towards the globalized computing environment.Due to the open,dynamic and uncontrollable natures of the Internet,software running in the Internet computing environment has some new features,which bring challenges to current software technologies in terms of software model,software operating platform,software engineering approaches and software quality.Researchers in China have proposed the term "Internetware" to present the emerging software paradigm.Sponsored by the National Basic Research 973 Program,several research practices have been done on the Internetware in the past decade.This paper summarizes the progress and status of the Internetware researches.A technical solution framework for the Internetware paradigm is proposed from four aspects:the Internetware software model defines what the Internetware is to be;the Internetware middleware determines how to run the Internetware applications;the engineering methodology determines how to develop the Internetware applications;the Internetware quality assurance determines how well the Internetware applications can perform.The paper also discusses the ongoing research issues and future trends of Internetware.     

Minimum MSE regression estimator with estimated population quantities of auxiliary variables

Construction of a regression estimator in which the population means of auxiliary variables are estimated with a larger sample is considered. Using the variances of the estimated population means, and the correlation between auxiliary variables and the variable of interest, a design consistent regression estimator that has minimum model mean squared error under a working model is derived. A limited simulation study shows that the minimum model mean squared error regression estimator performs well compared to the generalized least squares regression estimator, even when the working model is inappropriate.