关于拉氏积分计算中的条件验证谈《微积分学教程》中的一处错误

菲赫金哥尔茨著《微积分学教程》中在计算拉普拉斯积分中称根据更序定理可施行积分次序的变更以求其值,原书未作验证。本文指出该积分不满足更序定理的条件,但在去掉积分变量t的下限O这一点后,积分就满足定理的条件了,然后通过极限步骤以求积分的值。     

Ab initio calculations of small hydrides including electron correlation

Five different structures of CH₅ ⁺ and one structure of CH₅ ^– are calculated using a gaussian basis both in the SCF approximation and with the inclusion of electron correlation in the independent electron pair approximation (IEPA). While on SCF level the C _sstructure of CH₅ ⁺ has to lowest energy, the energy difference between the C _sand C _2vstructures becomes negligible if correlation is included. In contrast to this the approach of a proton to CH₄ at large and intermediate distances is most favorable towards a corner of the CH₄ tetrahedron which means a structure. The decomposition of CH₅ ⁺ into CH₃ ⁺ and H₂ requires 20kcal/mol on SCF level and 40 kcal/mol if correlation is included.     

Studies of solvent effects

The effect of water on the conformational preferences of acetylcholine has been studied within the discrete, the continuum and the combined discrete-continuum models described in parts I and II of this series. All the models lead to the conclusion that the trans-gauche form which is, following refined quantum-mechanical computations, the intrinsically preferred one and the one observed in the crystal of acetylcholine and of a number of analogues should remain also the preferred conformation in water. This result agrees with NMR studies. The results of the empirical discrete model used here compare favorably to those obtained by an ab initio super-molecule treatment. The continuum model utilized here represents a net improvement above such models utilized in other works.     

Reactions of Hydroxyazolidines with π-Donor Heterocycles. 3. Reaction of 1-Acetyl-5-hydroxypyrazolidines with Oxindoles

The reaction of oxindoles with 5-hydroxypyrazolidines on the surface of potassium fluoride-modified alumina leads to 3-(5-pyrazolidinyl)oxindoles. The structure of these products was studied.     

Photophysical aspects of single-molecule detection by two-photon excitation with consideration of sequential pulsed illumination.

An important goal in single molecule fluorescence correlation spectroscopy is the theoretical simulation of the fluorescence signal stemming from individual molecules and its autocorrelation function. The simulation approaches developed up to now are based exclusively on continuous-wave (cw) illumination and consequently on cw-excitation. However, this approximation is no longer valid in the case of two-photon excitation, for which pulsed illumination is usually employed. We present a novel theoretical model for the simulation of the fluorescence signal of single molecules and its autocorrelation function with consideration of the time dependence of the excitation flux and thus of all illumination-dependent photoprocesses: two-photon excitation, induced emission and photobleaching. Further important characteristics of our approach are the consideration of the dependence of the photobleaching rate on illumination and the low intersystem-crossing rates of the studied coumarins. Moreover, using our approach, we can predict quantitatively the effect of the laser pulse width on the fluorescence signal of a molecule, that is, the contributions of the photobleaching and saturation effects, and thus we can calculate the optimal laser pulse width. The theoretical autocorrelation functions were fitted to the experimental data, and we could ascertain a good agreement between the resulting and the expected parameters. The most important parameter is the photobleaching constant sigma, the cross section of the transition Sn<--S1, which characterises the photostability of the molecules independent of the experimental conditions. Its value is 1.7 x 10(-23) cm2 for coumarin 153 and 5 x 10(-23) cm2 for coumarin 314.     

Exact solutions for Belousov-Zhabotinskii reaction-diffusion system

Abstract. We consider the following simplified model for the Belousou-Zhabotinskii(B-Z)reaction:     

多客户VOD视频服务器的研究

描述了基于通用工作站的ＶＯＤ（ＶｉｄｅｏＯｎＤｅｍａｎｄ）视频服务器支持多客户并发访问的原理,提出了一个利用时间片轮询的调度算法来给多客户提供视频服务,并给出了一个基于客户／服务器结构的ＶＯＤ视频服务器的结构及其初步实现．实验结果证明了调度算法的有效性和正确性．     

中国货币政策中间目标变量的选择

利用互协关系检验（ｃｏ－ｉｎｔｅｇｒａｔｉｏｎｔｅｓｔｓ）的方法,考察我国的货币总量Ｍ０、Ｍ１和Ｍ２与其他主要宏观经济变量之间是否存在一种长期的稳定关系．结果表明,Ｍ２与工业生产总值ＧＩＰ、企业１年期短期名义贷款利率ｒ之间存在着长期稳定关系,由此估计出的货币需求函数有较好的统计性质,因此,Ｍ２应是我国的货币政策中间目标变量的首选对象．