H2S·HOH or H2O·HSH, which is more stable in the water-hydrogen sulfide complex?

High-level ab initio calculations are carried out to study the relative stability of the two hydrogen bonded structures of water-hydrogen sulfide complex, one with water as the proton donor (A) and the other with hydrogen sulfide as the proton donor (B). The results show that structure A is considerably more stable than B at the correlated level, which is in contrast with previous results obtained from Hartree-Fock calculations.     

Chemical synthesis and electric properties of the conducting copolymer of aniline and o‐aminophenol

A copolymer, poly(aniline‐co‐o‐aminophenol), was prepared chemically by using ammonium peroxydisulfate as an oxidant. The monomer concentration ratio of o‐aminophenol to aniline strongly influences the copolymerization rate and properties of the copolymer. The optimum composition of a mixture for the chemical copolymerization consisted of 0.3 M aniline, 0.021 M o‐aminophenol, 0.42 M ammonium peroxydisulfate, and 2 M H₂SO₄. The result of cyclic voltammograms in a potential region of ?0.20 to 0.80 V (vs.SCE) indicates that the electrochemical activity of the copolymer prepared under the optimum condition is similar to that of polyaniline in more acid solutions. However, the copolymer still holds the good electrochemical activity until pH 11.0. Therefore, the pH dependence of the electrochemical property of the copolymer is improved, compared with poly(aniline‐co‐o‐aminophenol) prepared electrochemically, and is much better than that of polyaniline. The spectra of IR and ¹H NMR confirm that o‐aminophenol units are included in the copolymer chain, which play a key role in extending the usable pH region of the copolymer. The visible spectra of the copolymers show that a high concentration ratio of o‐aminophenol to aniline in a mixture inhibits the chain growth. © 2007 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 45: 5573–5582, 2007     

罗尔定理证明一类存在性问题

提出罗尔定理证明一类存在性问题的方法,采用拉格朗日中值定理或柯西中值定理来证明这类问题往往需要构造精巧的辅助函数,我们还指出了这种方法的一般性.     

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研制出了用于计算氚投料量在FEB聚变堆各个子系统中的分布及其随时间变化的数值模拟程序包SWITRIM。通过近5年的使用，表明其运行良好、计算结果可靠。用SWITRIM数值模拟研究了聚变堆起动过程中的“氚坑深度和氚坑时间”新现象。简单介绍了SWITRIM程序包的组成和用户使用说明以及最新的运用等。     

Effect of C layer on the structures and magnetic properties of (0 0 1)-oriented [C/CoPt]n/Ag films

CoPt/Ag and [C/CoPt]n/Ag thin films have been prepared onto the glass substrates by magnetron sputtering. We investigated the evolution of texture and magnetic properties of CoPt/Ag and [C/CoPt]n/Ag films. The results show that C-doping plays an important role in improving (0 0 1) texture, improving the order parameter S, reducing the intergrain interactions, and making the magnetization reversal mechanism more close to Stoner-Wolfarth rotational mechanism. The growth mechanism of (0 0 1) texture also seems to be related strongly to the films thickness. Our results show that the highly (0 0 1)-oriented films with ordered fct phase have a significant potential for the perpendicular media of extremely high-density recording.     

PbWO4晶体空位型缺陷电子结构的研究

采用基于密度泛函理论的相对论性离散变分和嵌入团簇方法计算了PbWO4晶体中与氧空位和铅空位相关缺陷的态密度分布,并运用过渡态方法计算了其激发能.结果表明:PbWO4晶体中WO3+VO缺陷的O2p→W5d跃迁可引起350nm和420nm附近的吸收,并且发现VPb的存在可以使WO42基团的禁带宽度明显变小 关键词： PbWO4晶体 密度泛函 氧空位和铅空位 态密度分布     

天光一号预放大器中的放大自发辐射效应

 在三维放大自发辐射（ASE）的模拟计算中，计入了侧壁反射效应以及KrF自发辐射的谱线形状（高斯型、洛伦兹型及平顶型）的影响，并对空间网点的影响进行了考察。经过综合分析，给出了ASE对预放大器放大特性影响的上、下限范围。当计入平顶型频谱分布，壁反射系数为 0 .2时，与不计入ASE的情形对比，天光一号预放大器的提取效率下降为35%。     

威灵仙及其伪品的FTIR法直接鉴定

采用傅里叶变换红外光谱（FTIR）法，借助OMNI采样器直接测定了中药材威灵仙及其伪品华东菝葜、山木通和毛柱铁线莲的红外光谱，结果发现正伪品的红餐光谱差别较大。因此FTIR法可以直接、快速、准确地对威灵仙与其伪品华东菝葜、山木通和毛柱铁线莲进行区别鉴定。     

脂松香、石炭酸松香树脂和马林酸松香树脂的红外光谱剖析及鉴别

本文对脂松香、石炭酸松香树脂和马林酸松香树脂的红外光谱剖析及鉴别，方法快速，简便，准确。     

我国封闭式投资基金业绩评价实证研究

随着我国基金行业超常发展,恰当的分析和评价基金业绩已越来越重要。本文根据CAPM的基本原理,利用国外先进的基金业绩评价方法对我国封闭式基金的综合业绩进行实证研究。研究结果表明:总体来看,基金获得的市场超额收益显著为负。基金经理不具有证券选择能力,但具有一定的市场择时能力,但这两种能力均不显著。同时,我们还发现不同投资风格的基金经理具有不同的证券选择能力和市场择时能力。