Pentapnictogen heterocyclic monoanions: Structure,stability, and aromaticity

Inorganic planar ring-shape molecules with 4n + 2 π electrons are always the focus of experimental synthesis and theoretical research due to their potential aromaticity and stability. In this work, the whole series of five-membered heterocycle monoanions X _nY_5-n⁻ (X, Y = group 15 elements; n = 1-4) were thoroughly investigated by means of density functional theory calculations. They all have large formation energies and HOMO-LUMO gap energies, suggesting the potential thermodynamic and kinetic stability. Their aromaticities are comparable to that of typical aromatic hydrocarbons. Their thermal stabilities were firmly established by the ab initio molecular dynamics simulations. As most of them are predicted for the first time, their various spectra were simulated for experimental characterization. Furthermore, we demonstrate that these five-membered cyclic anions can be employed as η⁵-ligand to construct novel all-inorganic metallocenes, which may serve as the building blocks of low-dimensional nanomaterials.     

Dimeric Manganese-Catalyzed Hydroarylation and Hydroalkenylation of Unsaturated Amides

An unprecedented Mn(I)-catalyzed selective hydroarylation and hydroalkenylation of unsaturated amides with commercially available organic boronic acids is reported. Alkenyl boronic acids have been successfully employed for the first time in Mn(I)-catalyzed carbon–carbon bond formation. A wide array of β-alkenylated amide products can be obtained in moderate to good yields, which offers practical access to five- and six-membered lactams. This protocol has predictable regio- and chemoselectivity, excellent functional group compatibility and ease of operation in air, representing a significant step-forward towards manganese-catalyzed C−C coupling.     

Direct Intermediate Regulation Enabled by Sulfur Containers in Working Lithium–Sulfur Batteries

Polysulfide intermediates (PSs), the liquid-phase species of active materials in lithium–sulfur (Li-S) batteries, connect the electrochemical reactions between insulative solid sulfur and lithium sulfide and are key to full exertion of the high-energy-density Li-S system. Herein, the concept of sulfur container additives is proposed for the direct modification on the PSs species. By reversible storage and release of the sulfur species, the container molecule converts small PSs into large organosulfur species. The prototype di(tri)sulfide-polyethylene glycol sulfur container is highly efficient in the reversible PS transformation to multiply affect electrochemical behaviors of sulfur cathodes in terms of liquid-species clustering, reaction kinetics, and solid deposition. The stability and capacity of Li-S cells was thereby enhanced. The sulfur container is a strategy to directly modify PSs, enlightening the precise regulation on Li-S batteries and multi-phase electrochemical systems.     

女大学生排球选修课教学之我见

本文依据大学生生理、心理的阶段特征，通过变换组织教法以及增强学生主体、教师主导的双边作用，分析排球课的项目特点。使技能学习和人格发展相结合，培养身心健康发展的大学生。     

Banach空间中二阶Volterra型积分微分方程边值问题解的存在性

利用上、下解法在正规锥上证明了二阶非线性Volterra型积分微分方程边值问题解的存在性。     

基于WEB方式的电子政务初探

本提出了基于WEB方式的电子政务设计、开发、运营方法和技术平台的总体框架。描述了电子政务数据开发模型的雄度，电子政务系统工程的实施原则、实施步骤及应用系统集成的一整套的实践模型。     

内燃机燃烧过程仿真后处理输入文件Ipost的研究

以系统论为理论依据，在计算机上进行试验和分析，研究了输入件的设计要求和方法。研究表明：后处理输入件要设计后处理硬件类型、图形件(*．ps)的输出模式和镜像输出条件等总则，要确定输出内容包括网格划分和性能计算结果两个大的方面，网格划分的输出可以按平面图和三维图两种类型输出。性能等高线图和矢量图可以按正平面图和斜平面图的类型输出，网格图和性能图均按仿真计算的曲轴转角(时间)输出。     

强迫布鲁塞尔振子双稳周期吸引子的初值流域

本文利用数值方法,在几组典型参数值下,详细地考察了弱耦合强迫布鲁塞尔振子在超临界情况下双稳周期运动的周期与初值的关系。首次在初值平面x_0—y_0上的一定范围内,给出了导致不同周期运动的初值分布(流域)。计算结果还表明:在此范围内不存在多重稳定态,因而从一个方面进一步加强了弱耦合条件下的强迫布鲁塞尔振子与圆映象的可比性。     

小波分析在证券分析中的应用

传统股市投资分析中的证券分析方法之一———MACD法 ,利用DIF的移动平均值以确定证券的买卖时机 ,存在着时滞性 ,对非平稳的股市信息分析不能及时、较好地刻画股市的基本变化趋势 .作者根据证券投资理论 ,建立了相应的证券投资分析数学模型 ,根据小波分析多尺度分析能力强的特点 ,利用小波分解提取反映股市基本变化趋势的低频信息 ,改进了传统分析方法 ,建立了改进后的数学模型Ⅲ .该模型求解方便 ,同时与实际模型较好地逼近 ,具有时效性 .此外 ,以路桥建设股票 14 0个交易日的DIF和MACD值作为原始数据 ,用Matlab作为工具进行计算 ,求解模型Ⅲ .结果表明 :与传统分析方法相比 ,从模型Ⅲ中能得到更多的买卖点信息 ,而且价差更大 ,效果显著 ,充分显示了小波分析在股市技术分析中的强大生命力     

图像相关方法中采用多种子区进行位移测量

在图像相关位移测量方法中一般采用正方型子区搜索中心点的位移.当测量靠近裂纹或缺陷部位的位移时中心型子区失去效果,为了解决这一问题提出了非中心型子区的方法.证明了方法的有效性.认为在相关搜索时测量点既可选定在子区的中心位置,也可选定在非中心位置.进而提出了将测量点确定在子区角点的多种子区的方法.除通常的中心型子区外,至少还有4种子区可以采用,分别是右下角型、左下角型、右上角型和左上角型,这4种子区不但适用于表面裂纹或缺陷部位的位移测量,而且增加了图像有效信息的提取面积.