自由基-分子反应:F+Propene(CH2CHCH3)的从头算研究

采用从头算CCSD(T)/6-311 G(2d,2p)//B3LYP/6-311G(d,p)方法,研究了自由基-分子反应F CH2CHCH3的各种不同的反应通道．该反应主要是通过复合物形成机制进行,即F分别加到碳碳双键的两端形成自由基复合物1和2．这两种亚稳态自由基会解离成三种产物:H C3H5F、CH3 C2H3F和HF C3H5．理论计算结果表明,生成CH3 C2H3F是反应的主要通道,而生成H C3H5F和HF C3H5对产物也有一定的贡献．这一结果和实验符合得很好．     

Mechanism of catalytic asymmetric hydrogenation of 2-formyl-1-methylene-1,2,3,4-tetrahydroisoquinoline using Ru(CH3COO)2[(S)-binap]

The mechanism of the asymmetric hydrogenation of 2-acyl-1-alkylidene-1,2,3,4-tetrahydroisoquinolines, the first reported reaction with the Noyori-Takaya Ru(CH₃COO)₂(binap) complex, has been investigated by means of deuterium labeling, kinetics, and NMR analysis. A series of experiments has revealed that (1) a monohydride-unsaturated mechanism operates involving the initial formation of RuH followed by reaction with the enamide substrate, (2) the hydride transfer from RuH to the olefinic double bond is endothermic and reversible, and (3) the rate is determined in the hydrogenolysis step. This view is consistent with that of proposed for the BINAP-Ru catalyzed Kagan reaction.     

基于内生信息的股票发售机制比较研究

本文在内生信息成本的基础上，通过引入投资银行的信息成本函数，考察了国际上主要股票发售机制的内在机理，并用一个统一的框架比较了各种发售机制的差异及演进趋势。本研究表明，在投资银行和投资者信息成本相同的情况下，由于固定价格发售机制须用额外的折价去解决投资者之间的信息问题，因而相对于累计投标询价制是一种处于劣势的机制选择。同时指出，具有信息成本优势的机构投资者的出现和发展，是固定价格发行向询价发行过渡的一个必要条件。     

Study of the spontaneous formation of organic layers on carbon and metal surfaces from diazonium salts

This study investigates the spontaneous grafting of different para-substituted phenyl groups on carbon and metallic surfaces from diazonium salts solutions. Glassy carbon, nickel, zinc and iron plates were allowed to react with an acetonitrile solution of aryldiazonium tetrafluoroborate salt by simple dipping. The surfaces were characterized before and after their immersion by XPS and AFM to evidence the formation of a coating on the different materials. The results are indicative of the presence of substituted phenyl groups on all the investigated surfaces. This study also aims at correlating grafting efficiency with metal reactivities and diazonium salt electronic properties by means of AFM and FT-IRRAS. For this purpose, zinc and nickel were chosen due to their opposite reducing properties and two diazonium salts were selected with electron-donor or -withdrawing para-substituents. The results tend to indicate that redox properties of both partners (diazonium + metal) are of prime importance for grafting to occur.     

脑细胞激活素药物的化学成分分析

采用日本岛津LC-60A型高压液相色谱仪和美国P-E3030型原子吸收分光光度计，对该药进行了氨基酸、维生素和化学元素的含量测定。结果表明，该药含有18种氨基酸，不少于3种维生素和20几种化学元素，为进一步改进该药物的合理配制方法和临床应用提供了参考数据。     

Corrections of proofs for Hansen and Mélot's two theorems

The Randi? index R(G) of a (chemical) graph G is also called connectivity index. Hansen and Mélot [Variable neighborhood search for extremal graphs 6: analyzing bounds for the connectivity index, J. Chem. Inf. Comput. Sci. 43 (2003) 1-14] in their paper, characterized the chemical trees of given order and number of pendent vertices which have the minimum and maximum Randi? index, respectively. In this note, we point out the mistakes in the proofs of their results Theorems 8 and 10, while we still believe that the two theorems are true, and then we give their corrected proofs.     

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用高密度等离子体模型可以计算出一整套输运参数,并且在很宽的等离子体温度和密度范围内有合理的精度,可广泛应用于Z箍缩等离子体、激光聚变和磁约束聚变等领域,并将这个模型计算出的各种输运参数拟合成了实用的公式。     

Regiochemistry of the addition of mercury salts to bornylene

The dependence of the regiochemistry of the mercuration of bornylene on the nature of the mercurating reagent and on the solvent has been found. The structures of the intermediate and transition state in these reactions have been proposed.Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 3, pp. 501–505, March, 1994.     

技术创新的激励机制研究

本通过引入激励经济学的思想来探讨解决目前我国技术创新中的激励不足问题。本从分析具体的激励模型（包括简单激励模型、多代理任务模型和自我选择模型）入手，并进行模型的推广应用，通过选择性的讨论，针对技术创新的具体问题提出激励机制设计思想和政策建议。