钐(Ⅱ)类卡宾CH_3SmCH_2X(X=Cl、Br和Ⅰ)促进乙烯环丙烷化反应途径的理论研究(英文)

用密度泛函B3LYP方法研究了过渡金属钐类卡宾与乙烯的环丙烷化反应的机理。对三种不同的钐的SS试剂CH_3SmCH_2X(其中X=Cl、Br和Ⅰ)分别和CH_2CH_2反应的各反应物、中间体、过渡态和产物构型的全部结构几何参数进行了优化,用内禀反应坐标(IRC)计算和频率分析方法,对过渡态进行了验证。结果表明：CH_3SmCH_2X(其中X=Cl、Br和Ⅰ)与CH_2CH_2环丙烷化反应按亚甲基转移通道(通道A)和卡宾金属化通道(通道B)都可以进行,与锂类卡宾的反应机理相同,只是按亚甲基转移通道(通道A)进行反应较容易一些,而且此反应在较低的温度下就可以发生。     

12-Ring Network Coordination Polymer——{[Cu(C_4N_2H_(10))_4]_2·H_4V_4O_(14)}_n Formed by Linking cyclo-[H_4V_4O_(14)]~(4-) with Cu(C_4N_2H_(10))~(2+)_4 Cation Clusters

IntroductionThe interest in polyoxometalates that are widelyused in medical chemistry, catalyst reactions, and ma-terial sciences stems from their complicated aggregatesformed by means of corner-, edge- and face-sha-ring[1—4]. The exploitation of new str…     

Monitoring the Aggregation of Dansyl Chloride in Acetone through Fluorescence Measurements

The aggregation of dansyl chloride (DNS-Cl) in acetone has been studied in detail by steady-state fluorescence techniques.It has been demonstrated that DNS-Cl is stable in acetone during purification and aggregation study processes.The aggregates are not solvolyzed in acetone,and do not take part n any chemical reactions either.It has been found that DNS-Cl tends to aggregate even when its concentration is much lower than its solubility in acetone.The aggregation is reversible,and both the aggregation and the deaggregation are very slow processes.Introduction of SDS has a positive effect upon the formation and stabilization of the aggregates.     

2,3-二羟基萘钼多酸有机衍生物的合成及1H NMR和IR谱学研究

本文对二种新合成的2，3－二羟基萘二钼和四钼多酸有机衍生物[n-Bu)4N]2[Mo2O5(OC10H6O)2](Ⅰ）和[n-Bu)4N]2[Mo4O10(OC10H6O)2(OCH3)2](Ⅱ)进行了红外光谱与核磁共振波谱研究，发现[Mo2O5]^2 中钼氧多桥键的红外振动频率较[Mo4O10(OCH3)2]^2 中钼氧多桥键的红外振动频率红移，而在配合物Ⅱ中2，3－二羟基中芳环的^1H化学位移较配合物Ⅰ中向低场移动。同时还发现含二钼配位中心[Mo2O5]^2 的[Mo2O5(OC10H6O)2]^2-与含四钼配位中心[Mo4O10(OCH3)2]^2 的[Mo4O10(OC10H6O)2(OCH3)2]^2-生成条件的差异仅仅只在反应体系的pH值的微小变化，说明钼多酸有机衍生物阴离子是对体系酸碱度极为敏感的物质。     

完全可分的三元系TS(v,4)的支撑集

§ 1　 IntroductionA triple system of order v and indexλ,denoted by TS(v,λ) ,is a collection of3- ele-mentsubsets Aof a v- set X,so thatevery 2 - subsetof X appears in preciselyλ subsets of A.L etλ≥ 2 and (X,A) be a TS(v,λ) .If Acan be partitioned into t(≥ 2 ) parts A1,A2 ,...,Atsuch that each (X,Ai) is a TS(v,λi) for 1≤ i≤ t,then (X,A) is called de-composable.Otherwise it is indecomposable.If t=λ,λi=1for 1≤ i≤ t,the TS(v,λ) (X,A) is called completely decomposable.It …     

高原鼠兔体重生长动态数学模型之再探讨

本文用麦夸算法构造高原鼠兔体重生长的Logistic和Compertz曲线模型,其结果表明:Logistic曲线比Gompertz曲线更优化,Logistic模型比逻辑斯谛-指要饱和模型的精确度更高.     

利福平菌丝体厌氧生化处理的研究

制药厂生产利福平过程中产生大量的利福平菌丝体,可严重污染环境。用厌氧消化法处理利福平菌丝体,消化温度40℃,反应器容积负荷2KgCOD/m~3·d,液料滞留期(SRT)14～20天,取得了良好的处理效果。COD去除率稳定在90％左右,BOD_5去除率达到95％以上,产气率达到0.49m~3/去除KgCOD。     

水电工程规划设计方案的自动生成及评价

本文介绍了在水电工程规划设计时，如何利用三次自然样条插值函数在有限个方案的基础上自动生成无限多个方案，然后采用多目标综合决策模型在其中选择最优方案的一种方法．文中还给出了程序流程，并以某水电站正常蓄水位选择作为实例，对方法进行了验证，结果与专家决策完全吻合．     

THE ASYMPTOTIC SOLUTION FOR A CLASS OF SINGULARLY PERTURBED PROBLEM FOR SEMILINEAR SINGULAR EQUATION

The singularly perturbed boundary value problem for a class of semilinearsingular equation is considered. Using a simple and special method the asym-ptotic behavior of solution is studied.     

基于RBF网络的增量学习

提出了一种基于径向网络的增量学习算法 ,在对新样本进行学习时 ,通过恢复受干扰样本的方式来尽可能保持已有的知识不变 .模拟实验证明了本算法的正确性和有效性 .