QSPR Modeling of the Reactivity Parameters of Monomers in Radical Copolymerizations

For a series of monomers, QSPR test analysis is performed by optimizing the correlation weights of the local invariants of molecular graphs representing monomer structures in order to construct models of the reactivity parameters of monomers Q and e. This approach may be used as a tool in reactivity predictions for monomers for which no experimental data on Q and e are available.Original Russian Text Copyright © 2004 by A. A. Toropov, V. O. Kudyshkin, N. L. Voropaeva, I. N. Ruban, and S. Sh. Rashidova__________Translated from Zhurnal Strukturnoi Khimii, Vol. 45, No. 6, pp. 994–998, November–December, 2004.     

原子结构参数的改进Xa法计算

六十年代后期,在Hartree－Fock-Slater法的基础上,提出了Xα法［1］．用于原子结构计算的Xα法与HF（Hartree－Fock）法的主要区别在于：用简单的统计平均交换势替代了HF法中计算最为困难的电子交换势,从而在保持较高理论严谨性和计算精确度的同时,大大减少了计算工作量,近年来获得了广泛的应用．我们尝试用经过适当修改的Xα方法,计算原子参数,解决分子结构中的某些问题．用原子参数解决分子问题,历来是化学和物理工作者常用的方法．本工作的意图是引入一个比HF法简单的容易在微机上实现的某种表现原子参数的计算方法,提供…     

Elucidating dominant factors of PO43-, Cd2+ and nitrobenzene removal by biochar: A comparative investigation based on distinguishable biochars

Four distinct biochars were employed to remove three typical pollutants, meanwhile, path analysis, a multi-statistical regression method, was performed to elucidate the dominant factors of biochar adsorption. This work can provide a new insight to prepare a targeted biochar as adsorbents.     

Fraktionierte Kristallisation von Ammonium- und Magnesiumdoppelnitraten der Ceriterden; Bestimmung der Trennfaktoren und Vergleich der Trennwirkung

Summary The Separation Factors for Pr/La, Nd/Pr, and Sm/Nd, characterizing the crystallization of ammonium and magnesium double nitrates under practical conditions, were determined analytically and are discussed. They confirm that La and Pr can be separated better by fractional crystallization of ammonium double nitrates, whereas in the presence of Sm the magnesium double nitrates are preferable.

     

贵州省不同类型自然保护地空间分异及其影响因素

受自然与社会因素的影响,不同类型自然保护地的空间分异存在较大的差异.研究针对贵州省内的自然保护区、森林公园、湿地公园和风景名胜区等4类自然保护地,综合运用最邻近点指数、地理集中指数、核密度和地理探测器模型对其空间分异特征进行分析,并探讨其影响因素.结果表明：自然保护区与其余3种自然保护地在数量的空间分异特征上具有明显差异,但4种自然保护地在面积的空间分异特征上均表现出离散化分布的特征,具有较高的相似性.相同影响因素的解释力在不同类型的自然保护地上差异较大,在数量上主要影响因素呈现出趋异性,而面积上主要影响因素则呈现出趋同性.任意2个影响因素交互后其解释力均增强,交互的特征呈多维度复合影响的态势.不同类型自然保护地功能定位的差别是其主要影响因素呈现出趋异性和趋同性的主要原因.     

Sylvester矩阵方程的改进IO迭代算法

通过对Sylvester矩阵方程的理论分析,可知IO迭代算法中迭代矩阵的谱半径随内迭代次数的增大而减小,更新了IO迭代算法中内迭代次数的选择方法,并证明了该算法收敛性与初始矩阵无关。Sylvester矩阵在满足一些特定条件下,为了进一步提高收敛速度,可通过选择适当的相关参数,使得IO迭代算法有较好的收敛速度且比Smith算法的迭代次数明显减少。     

Dynamic complexity of optimal paths and discount factors for strongly concave problems

We study the relationship between the dynamical complexity of optimal paths and the discount factor in general infinite-horizon discrete-time concave problems. Given a dynamic systemx _t+1=h(x _t ), defined on the state space, we find two discount factors 0 < ^{* **} < 1 having the following properties. For any fixed discount factor 0 < < ^*, the dynamic system is the solution to some concave problem. For any discount factor ^** < < 1, the dynamic system is not the solution to any strongly concave problem. We prove that the upper bound ^** is a decreasing function of the topological entropy of the dynamic system. Different upper bounds are also discussed.This research was partially supported by MURST, National Group on Nonlinear dynamics in Economics and Social Sciences. The author would like to thank two anonymous referees for helpful comments and suggestions.     

黄脊竹蝗Ceracris kiangsu发生与气象因子的相关性研究

福建省长汀县1988年至1997年历年黄脊竹蝗Ceracris kiangsu Tsai发生面积与历年主要气象因子变量相关性进行研究。结果表明,黄脊竹蝗发生与气象因子有密切的关系,黄脊竹蝗发生与10月、1月、7月及4月、5月、6月份的气温,与9月、11月及1月、7月、6月份的降雨量,与6月、3月、7月及9月、2月份的日照时数相关密切。其相关性研究对预测和防治竹蝗有一定的指导意义。     

人性与人性平衡初探

人性是由生存欲、占有欲、性爱、情爱、责任心、义务感、同情心、怜悯心、惰性等多种要素组成的。人性诸要素之间的关系是互相平衡与互相制约的。这种平衡与制约遵循着四大规律：第一,人性要素的不可缺失性;第二,人性总体和总趋势平衡;第三,人性某个或某些要素扩张有一个“度”;第四,人性平衡是由简单到复杂、由低级到高级、由个别到普遍的发展过程。