类Li离子PⅩⅢ—NiⅩⅩⅥ能量的半经验计算值与量子数亏损的规律性

一、引言在文献[1]中我们根据B. Edlen提供的半经验计算方法设计了一个计算机程序,得到了类Li离子Li Ⅰ—Si Ⅻ的能量与量子数亏损值。本文利用与文献[1]相同的程序计算了PⅩⅢ—NiⅩⅩⅥ离子的ns~2S、np~2P、nd~2D和nf~2F态(直至n=12)的能级值与量子数亏损。在文献[1]中曾根据原子实极化模型阐明了类Li离子np~2P、nd~2D和nf~2等非贯穿     

一个改进的计算烷烃沸点的经验公式

以朱昌中等（1995）提出的表征有机化合物结构特征的拓扑指数Xz为基础,结合分子密堆积信息指数P3,分子支化度参量P2,提出一个新的计算烷烃沸点的经验公式,计算结果显示,其相关性优于朱昌中等文经验式。     

战斗部破片动态飞散区的变换

为提高导弹战斗部破片动态飞散区破片密度计算精度。对文献[1]的破片动态飞散密度计算模型进行了分析。认为文献[1]提出的战斗部破片相对目标的动态飞散密度与战斗部破片相对地面（或空气）的动态飞散密度计算变换关系式有误，提出了对文献[地]所建模型的修正，通过仿真计算，证明修正后的模型与实际一致，克服了原模型的误差。     

孔隙介质中滞留聚合物分子的粘弹效应系数

本文在文献[1]的基础上做了进一步的试验研究,发现慢速降压过程流速对时间的依赖关系呈指数曲线形式,同时进行了慢速升压试验,同样发现流速与时间的指数关系。文中对文献[1]定义的附加残余效应系数提出了修改,重新定义为滞留分子粘弹效应系数,对降压过程和升压过程的粘弹效应系数进行了对比。通过岩心出口液浓度数据,证实了文中描述的粘弹效应机理和分子构象改变的物理模型的可靠性。     

无平方因子的优美指数问题

对形如P1P2…Pk（P1为相异素数）的无平方因子的正整数是否为优美指数的问题进行了一些探讨．否定了唐波在文献[5]中提出的一个猜想．     

饱和烷烃偏心因子与拓扑指数的相关性研究

偏心因子ω是有机化合物一个很重要的热力学参数,常用于计算各种物性数据,如Riedel常数、势能常数等.本文根据分子结构的特点,计算了饱和烷烃的W指数、Ix指数、J指数及Xz指数,给出了不同拓扑指数与饱和烷烃偏心因子的相关性经验公式,结果显示其相关性皆优于文献[1]式.     

杂化轨道理论的研究——(Ⅰ)AXY_3型分子中S-P杂化轨道间的键角(英文)

本文根据文[1]提出的一般性的统一的处理方法,对AXY_3型分子的键角、杂化指数和成键能力等进行了计算,获得了规律性结果。     

关于诣零环的一个问题

文献[1]中提出一个问题:是否存在一个指数为n的诣零环不是幂零环?文献[2]给出一例:存在一个指数为2的诣零环不是幂零环.基于文献[1]、[2],本文得到了域F上一个诣零交换代数为幂零代数的一个充分条件.     

离散无记忆信道的信道容量计算

文献[1]中提出了离散无记忆信道的信道容量C的迭代计算方法,我们在文献[2]中对[1]进行了一些改进。本文简要叙述了[2]中提出的迭代计算方直接计算信道法,在[2]基础上又提出了可以简化信道容量计算的递推形式;给出了在一定条件(下直接计算信道)容量的方法;讨论了各种计算方法的收敛性;最后给出了几个实例。     

孔隙介质中滞留聚合物粘弹性的测定方法研究

本文为关于孔隙介质中滞留聚合物粘弹性研究的第四篇论文[1-3]。基于HPAM和xanthan gum分子结构柔性的对比,从理论上证明了柔性滞留分子的粘弹回复使孔喉的有效流动面积呈指数减小,故流量也呈指数衰减。本文提出了一个利用孔隙介质测定聚合物松驰时间的新方法,在岩心流动试验的基础上,计算出描述粘弹性的另一种参数——德博拉数(Deborah number)。岩心流动试验证明,用降压法测定滞留分子的粘弹性时[1],HPAM显示了良好的粘弹性,xanthan gum则基本不显示粘弹性。当用稳压法测示时,HPAM的粘弹性无法测出,证明文献[1]提出的降压法是测定粘弹性的一种行之有效的方法。岩心试验中还研究了岩心渗透率和溶液含盐量对粘弹流动的影响。     

Markedness and its Interpretation in Language Use

Language markedness is a common phenomenon in languages, and is reflected from hearing, vision and sense, i.e. the variation in the three aspects such as phonology, morphology and semantics. This paper focuses on the interpretation of markedness in language use following the three perspectives, i.e. pragmatic interpretation, psychological interpretation and cognitive interpretation, with an aim to define the function of markedness.     

低渗透非均质砂岩油藏启动压力梯度研究

理论推导与室内实验相结合,建立了低渗透非均质砂岩油藏启动压力梯度确定方法。首先借助油藏流场与电场相似的原理,推导了非均质砂岩油藏启动压力梯度计算公式。其次基于稳定流实验方法,建立了非均质砂岩油藏启动压力梯度测试方法。结果表明:低渗透非均质砂岩油藏的启动压力梯度确定遵循两个等效原则。平面非均质油藏的启动压力梯度等于各级渗透率段的启动压力梯度关于长度的加权平均;纵向非均质油藏的启动压力梯度等于各渗透率层的启动压力梯度关于渗透率与渗流面积乘积的加权平均。研究成果可用于有效指导低渗透非均质砂岩油藏的合理井距确定,促进该类油藏的高效开发。     

On Tragic Consciousness In The Works By Ernest Hemingway

As an American modern novelist who were famous in the literary world, Hemingway was not a person who always followed the trend but a sharp observer. At the same time, he was a tragedy maestro, he paid great attention on existence, fate and end-result. The dramatis personae's tragedy of his works was an extreme limit by all means tragedy on the meaning of fearless challenge that failed. The beauty of tragedy was not produced on the destruction of life, but now this kind of value was in the impact activity. They performed for the reader about the tragedy on challenging for the limit and the death.     

Achieving Unusual States of Matter Under High Pressure

正The periodicity of the elements and the non-reactivity of the inner-shell electrons are two related principles of chemistry,rooted in the atomic shell structure.Within compounds,Group I elements,for example,invariably assume the+1 oxidation state,and their chemical properties differ completely from those of the p-block elements.These general rules govern our understanding of chemical structures and reactions.Using first principles calcula-     

Exchange-Correlation and Electronic Excitation Energies from Pairing Matrix Fluctuations

We have developed an adiabatic connection to formulate the ground-state exchange-correlation energy in terms of pairing matrix linear fluctuations.This formulation of the exchange-correlation energy opens a new channel for density functional approximations based on the many-body perturbation theory.We illustrate the potential of such approaches with an approximation based on the particle-particle Random Phase Approximation(pp-RPA).This re-     

Density Functional Theory for the Response of Periodic Systems to Electric Fields Based on the Vector Potential Approach

正The electronic and nuclear(structural/vibrational)response of 1D-3D nanoscale systems to electric fields gives rise to a host of optical,mechanical,spectral,etc.properties that are of high theoretical and applied interest.Due to the computational difficulty of treating such large systems it is convenient to model them as infinite and periodic(at least,in first approximation).The fundamental theoretical/computational problem in doing so is that     

On the Thermodynamic Limit for Responses to Static Electromagnetic Fields

For molecular systems,the quantum-mechanical treatment of their responses to static electromagnetic fields usually employs a scalar-potential treatment of the electric field and a vector-potential treatment of the magnetic field.Although the potential for each field separately is associated with the choice of an(unphysical)origin,the precise choice of the origin for the electrostatic field has little consequences for the results.This is different for the     

An affordable accurate evaluation of the binding conformations predicted by molecular docking studies in bio-system

Franck-Condon factors bridge the gap between theoretical modeling and experimental observations for molecular electronic spectroscopy and electron transfer.Under the displaced harmonic oscillator approximation,multidimensional Franck-Condon factors are decomposed into a product of many one-dimensional(1D)Franck-Condon(FC)factors,and each 1D-FC factor is associated with one Huang-Rhys factor that determines the leading contribution of     

Call for Papers

<正>"The Journal of Shanghai Normal University:Mathematics"is published by Shanghai Normal University as regular issues of The Journal of Shanghai Normal University each year from 2014 in English.The editors-in-chief of the issues are professors Yuhao Cong and Maoan Han.The Journal of Shanghai Normal University was started in 1958 with     

Journal of Donghua University ( English Edition) Contents of Volume 31

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