Theoretical Study on the Long-lived Complexes for the Na＋I2 Collision System

For the Na I2 collision system, theoretical study is performed on the QCISD(T) level by using ab initio method. The ab initio potential energy surfaces are got and on them the long-lived complexes are found and optimized. These results verify the crossed molecule beam experimental phenomenon and the detailed geometry structures are given for the first time. The role of the complexes in the reaction path is also described in detail.     

Studies on the Adsorption of Asymmetrical Triblock Copolymers by Scheutjens-Fleer Theory and Monte Carlo Simulation

The adsorption of asymmetrical triblock copolymers from a non-selective solvent on solid surface has been studied by using Scheutjens-Fleer mean-field theory and Monte Carlo simulation method on lattice model. The main aim of this paper is to provide detailed computer simulation data, taking A8-kB20Ak as a key example, to study the influence of the structure of copolymer on adsorption behavior and make a comparison between MC and SF results. The simulated results show that the size distribution of various configurations and density-profile are dependent on molecular structure and adsorption energy. The molecular structure will lead to diversity of adsorption behavior. This discrepancy between different structures would be enlarged for the surface coverage and adsorption amount with increasing of the adsorption energy. The surface coverage and the adsorption amount as well as the bound fraction will become larger as symmetry of the molecular structure becomes gradually worse. The adsorption layer becomes thicker with increasing of symmetry of the molecule when adsorption energy is smaller but it becomes thinner when adsorption energy is higher. It is shown that SF theory can reproduce the adsorption behavior of asymmetrical triblock copolymers. However, systematic discrepancy between the theory and simulation still exists.The approximations inherited in the mean-filed theory such as random mixing and the allowance of direct back folding may be responsible for those deviations.     

Microwave-promoted Palladium Catalyzed Suzuki Cross-coupling Reaction in WaterI

A simple, rapid and environmental friendly method for the synthesis of biaryl compounds under microwave irradiation is reported.     

微全分析系统检测方法的研究进展

综述了不同类型的检测方法在微全分析系统的应用，并简述了各类型的检测方法的优缺点。引用文献92篇。     

β-环糊精固定相在色谱中的应用及发展趋势

β-环糊精(β-CD)对客体分子具有良好的手性识别性，广泛应用作色谱固定相等。本文按键载技术、包裹技术等分类介绍了β-CD类固定相近年来在色谱中的应用及发展趋势，并阐述了对手性识别机理的认识。     

用数学眼光看世界

加薪的学问学数学 ,是要使人聪明 ,思维更加缜密 .目前在美国广为流传的一道数学题是———老板给了两个加工资的方案 :一是每年年末加一千元 ;二是每半年结束时加 30 0元 ,请选一种 .不擅数学的 ,很容易选择前者 :一年加一千元总比两个半年共加 6 0 0元要多 .其实 ,由于加工资是累计的 ,时间稍长 ,往往第二种方案更有利 .例如 ,在第二年的年末 ,依第一种方案可加 10 0 0 +2 0 0 0 =30 0 0元 ;而第二种方案在第一年加得 30 0 +6 0 0 =90 0元 ,第二年加得 90 0 +12 0 0 =2 10 0无 ,总数也是 30 0 0元 .但到第三年 ,第一种方案可加 10 0 0 +2 …     

依“法”解题 简单容易

学习了《直线、平面、简单几何体》这一章后 ,经常遇到求点到面的距离和二面角以及直线与面的夹角的问题 .这类题若直接按定义做 ,许多同学都感到困难 .倘若采用法向量的知识解这类题 ,就变得十分容易了 .这里就谈谈运用法向量解这类题的方法 .1　求二面角、点面距离例 1　 (湖南省 2 0 0 2年高中数学竞赛试题 )如图 1,在棱长为a的正方体ABCD—A1 B1 C1 D1 中 ,E ,F分别是棱AB与BC的中点 .图 1　例 1图1)求二面角B -FB1 -E的大小 ;2 )求点D到平面B1 EF的距离 .解　如图 1,建立空间直角坐标系 ,则D( 0 ,0 ,0 ) ,B1 (a ,a ,a) ,E(a …     

一类对称三对角矩阵的合同对角化算法的实现

从一个对称三对角矩阵的合同变换出发 ,阐述了对称三对角矩阵对应的二次型标准化的一种方法 .     

铬（Ⅵ）—DBC—HNO3催化动力学光度法测定痕量铬（Ⅵ）

在硝酸介质中，痕量铬(Ⅵ)能灵敏的催化氧化DBC褪色。研究了反应的最佳条件，建立了测定痕量铬(Ⅵ)的新方法。检出限可达10^-9g／ml，测定范围为0．12--0．7μgCrC(Ⅵ)／10ml，方法简便、灵敏、快速、准确。用于测定水中的痕量铬(Ⅵ)，获得了满意的结果。     

反对称正交对称矩阵反问题

本文讨论一类反对称正交对称矩阵反问题及其最佳逼近．研究了这类矩阵的一些性质，利用这些性质给出了反问题解存在的一些条件和解的一般表达式，不仅证明了最佳逼近解的存在唯一性，而且给出了此解的具体表达式．