阵列信号处理系统中控制台软件的实现

本文针对阵列信息处理系统设计了控制台软件的实现方案。根据实际系统的需求分析确定了本方案的功能结构模块、操作流程和数据层次结构,并且分析总结了在控制台实现中的几项关键技术。     

氮-氨基多硝基二唑的理论研究（英）

采用密度泛函理论 B3LYP方法,在aug-cc-pVDZ的水平上,对6种N-氨基多硝基二唑化合物的电子结构、能隙及感度进行了理论研究。运用Politzer的方法得到了6种化合物的固相生成热和密度;采用键离解能预估了化合物的热稳定性,其离解能为238.94~283.95 kJ·mol^-1; 运用Kamlet-Jacob方程对其爆轰性能进行了预测。结果表明: 1-氨基-3,4,5-三硝基吡唑(8.99 km·s^-1, 36.12 GPa)和1-氨基-2,4,5-三硝基咪唑(8.92 km·s^-1, 35.56 GPa)的爆轰性能与环三亚甲基三硝胺(RDX, 8.75 km·s^-1, 34.7 GPa)及环四亚甲基四硝胺(HMX, 9.1 km·s^-1, 39.00 GPa)相当。综合热稳定性和爆轰性能,认为1-氨基-3,4,5-三硝基吡唑和1-氨基-2,4,5-三硝基咪唑是潜在的高能量密度材料。     

基于Delphi7开发的数据库应用程序的免安装

数据库应用程序开发完成后,总要制作安装程序。涉及到数据库,安装程序的制作都比较麻烦(特别对于非专业人员更是如此),安装包通常都达几十兆大小。本文介绍基于Delphi 7的数据库应用程序实现免安装的解决方法。     

从头计算法对C-C键裂解能的研究

采用从头计算法中的HF和DFT方法对一些烷烃和烷基苯分子的C－C键裂解能进行了计算。计算结果表明，HF方法在计算键能方面存在着较大的误差，DFT方法计算结果与实验值符合的很好，其中，D3LYP方法误差在4kcal/mol左右，B3P86方法的误差在2kcal/mol左右，说明DFT方法为计算分子C－C键裂解能的可靠方法。     

Theoretical and Kinetic Tools for Selecting Effective Antioxidants: Application to the Protection of Omega-3 Oils with Natural and Synthetic Phenols

Radical-scavenging antioxidants play crucial roles in the protection of unsaturated oils against autoxidation and, especially, edible oils rich in omega-3 because of their high sensitivity to oxygen. Two complementary tools are employed to select, among a large set of natural and synthetic phenols, the most promising antioxidants. On the one hand, density functional theory (DFT) calculations provide bond dissociation enthalpies (BDEs) of 70 natural (i.e., tocopherols, hydroxybenzoic and cinnamic acids, flavonoids, stilbenes, lignans, and coumarins) and synthetic (i.e., 2,6-di-tert-butyl-4-methylphenol (BHT), 3-tert-butyl-4-hydroxyanisol (BHA), and tert-butylhydroquinone (TBHQ)) phenols. These BDEs are discussed on the basis of structure–activity relationships with regard to their potential antioxidant activities. On the other hand, the kinetic rate constants and number of hydrogen atoms released per phenol molecule are measured by monitoring the reaction of phenols with 2,2-diphenyl-1-picrylhydrazyl (DPPH^•) radical. The comparison of the results obtained with these two complementary methods allows highlighting the most promising antioxidants. Finally, the antioxidant effectiveness of the best candidates is assessed by following the absorption of oxygen by methyl esters of linseed oil containing 0.5 mmol L⁻¹ of antioxidant and warmed at 90 °C under oxygen atmosphere. Under these conditions, some natural phenols namely epigallocatechin gallate, myricetin, rosmarinic and carnosic acids were found to be more effective antioxidants than α-tocopherol.     

Density functional study of the antioxidant activity of some recently synthesized resveratrol analogues

In this paper we have investigated the two main working mechanisms (H atom and single-electron transfer) of five new potential antioxidant analogues of cis-resveratrol. The O–H bond dissociation energy (BDE) and ionization potential (IP) key parameters were computed in methanol. Results obtained indicate that all the examined compounds are more efficient antioxidants than the molecule from which they derive, mainly due to their higher degree of conjugation and the capability to delocalize the π-electrons which contribute to the stabilization of the radical species. The enhancement of these stabilizing effects is in part a result of the introduction of a single bond between the C2′ and C6 carbon atoms of cis-resveratrol that generates a new central aromatic ring. However, the number of hydroxyl groups and in particular the presence of the catechol moiety remains the most significant features in determining the order of radical scavenging potentiality. Spectroscopic UV–Vis characterization is also reported and discussed.     

基于Sybase Web. sql的网络数据库解决方案

讨论目前比较热门的网络数据库应用技术,总结和比较了几个典型的网络数据库解决方案,详细叙述了笔者认为很具潜力的基于Sybaseweb.sql的网络数据库解决方案.     

Delphi数据库程序安装盘的制作

介绍了Delphi数据库程序安装盘的制作方法，并且重点介绍了BDE数据库别名的配置方法。     

Delphi的数据库访问

针对Delphi在数据库开发中的实际情况 ,介绍了Delphi对数据库支持的中间件———数据库引擎BDE ,同时介绍了数据库访问组件和数据库存取组件     

管理信息系统升级过程中数据迁移的研究及实现

数据迁移是管理信息系统和数据库系统开发中常遇到的问题。介绍了数据迁移的概念,叙述了实现数据迁移的几种方法(利用数据管道、数据窗口、动态的SQL语句、Delphi的Borland数据库引擎BDE(Borland Database Engine),Oracle的数据转换工具DCT(Data Conversion Too1)),并进行了对比。以南通华能电厂管理信息系统升级过程为例说明利用BDE实现数据迁移的方法,并给出了科技档案模块数据迁移的具体实现过程及代码实现。