Correlation between the bond dissociation energies and impact sensitivities in nitramine and polynitro benzoate molecules with polynitro alkyl groupings

The geometries of nine CHNO nitro-contained explosive molecules were fully optimized employing the B3LYP method of density functional theory with the 6-31G* basis set. The bond dissociation energy (BDE) for removal of the NO(2) group in nitroamine molecules with nitro alkyl, and benzoate with nitro alkyl were calculated at the same level. The calculational results of B3LYP/6-31G* and B3P86/6-311G* levels showed that the strength of C-NO(2) is weaker than that of N-NO(2) bond in nitroamine molecules with nitro alkyl. The weakest bond is the C-NO(2) in these computed molecules. The relationship between the impact sensitivities and the weakest C-NO(2) bond dissociation energy values was examined. The results indicate a nearly linear correlation between the impact sensitivity and the ratio of the BDE value to the molecular total energy.     

BDEGATE:一个数据库网关原型的研究与构造

研究和分析了分布式客户机／服务器应用模式（Ｃ／Ｓ模式）上常用的数据库接口方法。在此基础上,提出了一种数据库网关形式的数据库接口在分布式客户机．服务器应用中的新方法。详细地给出了基于该方法开发的数据库网关的设计思想、实现方法和采用的关键技术。     

ORACLE 与客户端开发工具的互连

论述了ＯＲＡＣＬＥＳＱＬＮｅｔ原理,介绍了ＯＲＡＣＬＥ数据库和客户端开发工具互连的方式,最后给出了ＯＲＡＣＬＥ和Ｄｅｌｐｈｉ互连的具体实现过程。     

Applying a risk assessment approach for cost analysis and decision-making: a case study for a basic design engineering project

Abstract

Many uncertainties and cost variations occur in the work activities of a project, thereby causing many possibilities of under-estimating or over-estimating for a bid price. A comprehensive study for each process of risk management should be investigated to achieve project objectives. However, a limited number of studies have a comprehensive viewpoint to indicate the benefits of risk management and the effect on project performance for the engineering design stage of engineering–procurement–construction (EPC) projects, especially in the basic design stage. This research was conducted to identify and analyze the risks associated with a Basic Design Engineering (BDE) project for a high value-added petrochemical plant in Taiwan. First, a project risk management work flow was proposed as an effective tool to minimize the project risks and maximize the management capacity of practitioners. Second, the cost effect of project risks was described by conducting a case study for the design process of a high value-added petrochemical plant using a Monte Carlo simulation. A risk register was identified to support the data required for conducting simulation analysis. The results of this paper provide reference points for risk management planning of project execution and help project managers evaluate particular risks at the engineering design stage of EPC projects to avoid cost overruns.     

Delphi技术在测试软件中的应用

详细介绍了用Ｂｏｒｌａｎｄ Ｄｅｌｐｈｉ３．０开发自动测试系统过程中的一些高级技术的应用,这些技术包括：动态封面的动作;动画的生成和播放;利用多媒体控件实现语音提示,数据库的组建,添加和删除;ＤＬＬ的调用;引进ＭＳＣｏｍｍ３２．ＯＣＸ实现串行通信。     

Relationship between the Bond Dissociation Energies and Impact Sensitivities of Some Nitro‐Explosives

The bond dissociation energy (BDE) for removal of the NO₂ group for eleven CHNO nitro‐containing explosive molecules is studied to find its correlation with impact sensitivity. The BDE for removal of the NO₂ group in nitroaromatic molecules with nitro alkyl, and esters with nitro alkyl, is calculated using the B3LYP method of Density Functional Theory with the 6‐31G* basis set. The relationship between the impact sensitivities and the weakest C‐NO₂ bond dissociation energy values is examined. The results indicate a nearly linear correlation between the impact sensitivity and the ratio of the BDE value to the total molecular energy.     

2层数据库应用程序结构下的Delphi 7.0与SQL Server的连接分析

介绍了Delphi的4种与数据库的连接方式，并详细分析及测试了Delphi7．0与SQL Server相连接的BDE和ADO连接方式的连接步骤，最后探讨了Delphi连接数据库的趋势展望。     

PM6 and DFT study of free radical scavenging activity of morin

Flavonoids have long been recognised for their general health-promoting properties, of which their antioxidant activity may play an important role. In this work, we have studied the properties of flavonoid morin using semiempirical and density functional theory (DFT) methods in order to validate the application of the recently developed parametric method 6 (PM6). Reaction enthalpies related to mechanisms of free radical scavenging by flavonoid morin were calculated by DFT and PM6 methods in gas-phase, water, DMSO and benzene. It has been shown that fast semiempirical PM6 method can mimic results obtained by means of more accurate time consuming DFT calculations. Thermodynamically favoured mechanism depends on reaction medium: SPLET (sequential proton loss electron transfer) is preferred in water and DMSO, and HAT (hydrogen atom transfer) is predominant in gas-phase. In benzene these two mechanisms are competitive.     

井下工程地质局域网的组建与应用

采用C／S设计模式，以ORACLE大型数据库作为后台数据库平台，建立起油田井下工程地质中数据信息采集、传输与处理的计算机局域网。此外，进行了局域网数据库的建库方法研究、局域网数据库设计及数据统计报表软件的开发与应用。     

利用OLE技术增强MIS系统的功能

OL E技术是以组件 (COM)为基础、面向对象的开发工具 ,文章介绍了OL E的基本概念并通过一个具体 OL E容器控件的使用 ,实现将数据库与其它服务器程序相结合的方法