甲基肼自由基在高温燃烧分解反应下的非谐振效应

In this work, the harmonic and anharmonic rate constants of the decomposition reaction of monomethylhydrazine (MMH) radicals have been calculated by using transition state (TS) and Rice-Ramsperger-Kassel-Marcus (RRKM) theories with either MP2 or B3LYP method at 6-311++G (3df, 2p) basis set, respectively. The reaction mechanism and anharmonic effect of the MMH radicals are studied in detail and both of the harmonic and anharmonic rate constants increase sharply with increasing temperature in the canonical system. In the microcanonical system, these constants also show sharp increase with the energies. Overall, the anharmonic effect becomes more pronounced with the increasing temperature or energy in the canonical and microcanonical systems, respectively. These results indicate that the anharmonic effect of the decomposition reaction of MMH radicals is quite significant and cannot be ignored.     

双Salamo型四肟配体构筑的锌(Ⅱ)配合物:合成,晶体结构和荧光性质

通过二水乙酸锌（Ⅱ）和双Salamo型四肟配体6,6''-二乙氧基-双（2,2''-（乙二氧双（氮次甲基）））四酚（H₄L）的配位反应,合成了2种锌（Ⅱ）配合物即：[Zn₃（L）（OAc）₂（H₂O）]（1）和[Zn₃（L）（OAc）₂（H₂O）]·[Zn₃（L）（OAc）₂（CH₃OH）（H₂O）]·3CH₃OH·H₂O（2）。该类配合物含有2个Salamo型L^4-配体和3个锌（Ⅱ）离子,其中2个锌（Ⅱ）原子位于Salamo型螯合单元的N₂O₂空腔内。[Zn（L）]螯合物中桥联的酚氧原子进一步和中心的锌（Ⅱ）原子配位。这类结构能通过2个桥联的乙酸根配体稳定,从而使配合物1和5达到电荷平衡。配合物有2种不同的几何构型即扭曲的三角双锥和四方锥（配合物1）或三角双锥和八面体（配合物2）。另外,配合物1和2在激发波长为340和337 nm时能发出强的绿光,其最大发射波长分别为531和536 nm。     

离散数学的翻转课堂教学法研究

离散数学是计算机专业的重要的基础课程.但是离散数学课程抽象难懂、教学模式单一、理论实际结合能力差,从而影响了这一课程的教学效果.为了提升离散数学的教学效果,面向学生翻转课堂的教学模式被引入.翻转课堂通过视频、示例或者项目、以及拓展等方式充分发挥学生为中心,教师辅助的教学理念,提升学生学习的主动性,提升离散数学的教学效果,为后续计算机专业课程奠定良好的基础.     

张量鲁棒主成分分析的增广拉格朗日交替方向方法

张量的鲁棒主成分分析是将未知的一个低秩张量与一个稀疏张量从已知的它们的和中分离出来.因为在计算机视觉与模式识别中有着广阔的应用前景,该问题在近期成为学者们的研究热点.本文提出了一种针对张量鲁棒主成分分析的新的模型,并给出交替方向极小化的求解算法,在求解过程中给出了两种秩的调整策略.针对低秩分量本文对其全部各阶展开矩阵进行低秩矩阵分解,针对稀疏分量采用软阈值收缩的策略.无论目标低秩张量为精确低秩或近似低秩,本文所提方法均可适用.本文对算法给出了一定程度上的收敛性分析,即算法迭代过程中产生的任意收敛点均满足KKT条件.如果目标低秩张量为精确低秩,当迭代终止时可对输出结果进行基于高阶奇异值分解的修正.针对人工数据和真实视频数据的数值实验表明,与同类型算法相比,本文所提方法可以得到更好的结果.     

微信用户数发展趋势的理论分析与因素探讨

给出Logistic,Gompertz,Usher和Von Bertalanffy 4种增长曲线的拐点、最大加速点和最大减速点的表达式.利用R语言编写程序,结合拟牛顿算法与随机优化算法,对微信月活跃用户数(WMAUs)的发展趋势进行分析与拟合.结果表明,4条曲线的拟合值在最大加速点到最大减速点时间段内基本吻合,但在初期和后期有所差别.Logistic曲线在初期的预测值偏大,而后期偏小,偏差相对较大;Von Bertalanffy曲线的偏差最小,且在饱和值、拐点、最大加速点、最大减速点及拟合优度的估计值方面都优于另外3种曲线;Usher和Gompertz曲线居于Logistic与Von Bertalanffy曲线之间,对后期的预测值有些保守.最后,基于价值理念的观点分析了影响WMAUs变动的主要因素.     

Self-catalytic synthesis of hydrophilic polypyrrole/tellurium nanocomposite and its capacitance performance

Journal of Solid State Electrochemistry - A hydrophilic polypyrrole/tellurium (PPy/Te) nanocomposite was synthesized by a facile approach in which H2TeO3 was used as the oxidizing agent of pyrrole...     

Torsions of 3-Dimensional Small Covers

In this paper,it is shown that for a 3-dimensional small cover M over a polytope P,there are only 2-torsions in H1(M;Z).Moreover,the mod 2 Betti number growth of finite covers of M is studied.     

A Lagrangian search method for the <Emphasis Type="Italic">P</Emphasis>-median problem

In this paper, we propose a novel algorithm for solving the classical P-median problem. The essential aim is to identify the optimal extended Lagrangian multipliers corresponding to the optimal solution of the underlying problem. For this, we first explore the structure of the data matrix in P-median problem to recast it as another equivalent global optimization problem over the space of the extended Lagrangian multipliers. Then we present a stochastic search algorithm to find the extended Lagrangian multipliers corresponding to the optimal solution of the original P-median problem. Numerical experiments illustrate that the proposed algorithm can effectively find a global optimal or very good suboptimal solution to the underlying P-median problem, especially for the computationally challenging subclass of P-median problems with a large gap between the optimal solution of the original problem and that of its Lagrangian relaxation.     

中心逼近式灰色GM(1,1)模型在滑坡变形预测中的应用

黄龙西村滑坡位于甘肃天水,属黄土高势能滑坡,滑体体积3.9×10⁵m³,基底为花岗闪长岩。为了提高滑坡灰色GM(1,1)模型的预测精度,采用一种改变背景值的方法--中心逼近式灰色GM(1,1)模型。通过黄龙西村滑坡实例验证分析,结果表明中心逼近式灰色GM(1,1)模型的预测值与该滑坡实际监测值十分接近,且其残差平方和及平均误差百分比明显比传统灰色GM(1,1)模型的残差平方和及平均误差百分比小,具有较高的预测精度。同时,可通过调整模型中参数m的取值,使中心逼近式灰色GM(1,1)模型具有更高的预测精度。经计算,当m=6时,中心逼近式灰色GM(1,1)模型的预测精度比传统灰色GM(1,1)模型提高了5.34%。