InGaAs（P）分别限制应变单量子阱激光器的优化设计

针对较常用的ＩｎＧａＡｓ（Ｐ）分别限制应变单量子阱激光器，给出了为得到最大净增益的优化设计参数。对于激射波长为１．５５μｍ的无应变激光器，最佳的光限制层波长为１．２４μｍ，厚度为１００ｎｍ。当阱材料引入压缩应变后．由于价带的有效状态密度减小，量子阱激光器的微分增益变大，阱深的增大对增大线性增益的效果更加明显．所以最佳光限制层的波长将变短，为１．２０μｍ     

Comment on “Extending Hirshfeld‐I to bulk and periodic materials”

In recent years, several methods have been developed that partition the electron density among atoms using spherically symmetric atomic weights. D. E. P. Vanpoucke, P. Bultinck, and I. Van Driessche (J. Comput. Chem. 2012, doi: 10.1002/jcc.23088) recently reported a periodic implementation of the Hirshfeld‐I method that uses a combination of Becke‐style and uniform integration grids and modified atomic reference densities to compute net atomic charges in periodic materials. Herein, this method is discussed in the context of earlier periodic implementations of the Hirshfeld‐I method, the Iterated Stockholder Atoms method, and the density derived electrostatic and chemical method.     

基于POT方法的极值理论在基金净值预测中的应用

为对基金净值数据进行建模,根据基金净值样本数据的尾部特点,建立极大,极小值分布的GPD模型,运用POT方法确定临界值,进而对参数进行估计,并对模型进行检验.最后,运用建立的模型对一些极值点进行预测.所得结果很好地描述了数据特点,对极值点的预测符合实际.     

公交车调度问题的数学模型

对 2 0 0 1年全国大学生数学建模竞赛的 B题——公交车调度问题进行了分析 ,建立了调度的目标规划模型及 0— 1规划模型 .在假设各站上、下车人数服从均匀分布的条件下 ,通过对模型的求解 ,求出了公交公司的最小运行车辆数 5 2辆 ,并给出了发车时刻表 ,其中上行方向运行 2 2 5班次 ,下行方向运行 2 2 0班次 .该模型简单 ,求解容易 ,能较好地考虑各方利益     

环境因子对东湖几种沉水植物生理的影响研究

报道了光照强度、水体温度及水体ｐＨ值对东湖５种沉水植物生理的影响．实验结果表明，在一定温度范围内，５种植物的光补偿点均随温度的升高而上升，且种间有较大的差异．各植物光合色素的含量，受生态因子的影响，表现出一定的适应性．５种植物对水体高ｐＨ值耐受能力有明显的差异．探讨了富营养化湖泊沉水植物消亡的原因及生态分布的规律，提出了富营养化湖泊水生植被的恢复及水生生态系统重建中的植物选种原则．     

The effects of the nature of catalyst and of the solvent on the stereoselectivity in amine-catalyzed asymmetric synthesis of substituted cyclohexa-1,3-dienes from prenal and monoesters of ylidenemalonic acids

In the amine-catalyzed reactions of prenal with (Z)-5-methyl-2-(methoxycarbonyl)hexa-2,4-dienoic or (Z)-3-phenyl-2-(ethoxycarbonyl)prop-2-enoic acid chiral β-amino alcohols provide for higher enantiomeric purity of the resulting alkyl 4-methyl-6-(2-methylprop-1-enyl)-and 4-methyl-6-phenylcyclohexa-1,3-dienoates than that provided by related chiral amines without hydroxy group. The values ofee attained in nonpolar solvents are higher than those observed in the polar ones. Substituting stoichiometric amounts of a chiral 1-amino-3-methylbuta-1,3-diene for a combination of prenal with 0.1 equiv. of the corresponding chiral amine results in the products of much lower enantiomeric purity. Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 1, pp. 84–92, January, 1998.     

Novel enhanced applications of QSPR models: Temperature dependence of aqueous solubility

A model developed to predict aqueous solubility at different temperatures has been proposed based on quantitative structure–property relationships (QSPR) methodology. The prediction consists of two steps. The first one predicts the value of k parameter in the linear equation , where S_w is the value of solubility and T is the value of temperature. The second step uses Random Forest technique to create high‐efficiency QSPR model. The performance of the model is assessed using cross‐validation and external test set prediction. Predictive capacity of developed model is compared with COSMO‐RS approximation, which has quantum chemical and thermodynamic foundations. The comparison shows slightly better prediction ability for the QSPR model presented in this publication. © 2016 Wiley Periodicals, Inc.     

具有六重穿插非中心对称金刚石网络结构的Cd(Ⅱ)和Zn(Ⅱ)的配位高聚物(英)

利用1，4-二-(4-羧基吡啶基)丁烷(L)合成了两个新的三维配位聚合物{(CdL₂)·4H₂O·2ClO₄}_n 1和{(ZnL₂)·4H₂O·2ClO₄}_n 2。单晶X-射线结构分析表明，1和2具有相同的计量式，但其晶体属于不同的空间群(1属于P4n2，2属于P4₂22)。两种配合物中，每个金属离子分别由配体与四个相邻的金属离子连接，从而形成具有六重穿插的金刚石网络结构，其网络中大的空腔被高氯酸根离子和(H₂O)₄分子簇所占据。     

随机条件概率的一个极限性质与条件矩母函数方法

设Ｘｎ,ｎ〉０是在ｓ＝１,２,…,Ｎ中取值的一列随机变量,ｐｋ（ｘｋ↓ｘ０,…ｘｋ－１）＝ｐ（Ｘｋ＝ｘｋ↓Ｘ０＝ｘｋ－１＝ｘｋ－１）。本文得到随机概率｛ｐｋ（Ｘｋ↓Ｘ０,…Ｘｋ－１）,１〈ｋ〈ｎ↓）的调和平均ａ．ｅ．收敛的一个定理．证明中提出了将关开网的微分法和条件矩母函数的工具应用于强极限定理的研究的一种途径。