Quantum-Chemical Evaluation of the Protolytic Properties of Thiophenols

The enthalpies and free energies of proton affinity (PA) were calculated by the PM3 method for 27 thiophenoxide anions. For thiophenols, linear correlation has been found between the PAs and the values of pK _a measured by different authors in aqueous acetone, aqueous ethanol, and methanol media. The dependences found permit one to predict a priori the protolytic properties of thiophenols. The differential effects of aqueous ethanol media with different ethanol contents on thiophenol acidity were evaluated based on quantum-chemical data.Original Russian Text Copyright © 2004 by A. N. Pankratov and A. V. Shalabai__________Translated from Zhurnal Strukturnoi Khimii, Vol. 45, No. 5, pp. 800–806, September–October, 2004.     

关于折射率对散射光场分布影响的研究

根据Mie散射理论,采用理论计算和实验相结合的手法,研究了光散射现象以及散射介质的折射率对散射光场分布的影响.通过对空气中不同折射率的散射介质形成的散射光场光强的实验比较,论证了散射介质折射率的实部变化对散射光强的影响不大,其主要影响是通过对相位的变化来实现的,也即散射介质折射率的虚部变化对光强的影响很大,在实际应用中不可忽略.这一结论对以散射光场的分布为基础的各种研究具有一定的指导意义.     

区域技术创新系统评估体系的研究

技术创新对提升企业竞争力、提高综合国力、促进经济增长和国家持续发展非常重要。本在研究了区域经济发展和国家创新系统的相关献基础上，建立了系统、量化的区域技术创新系统评估指标体系，提出了决定区域创新系统技术创新能力的主要因素，并用TOPSIS方法对指标的量化进行了尝试。     

基于"纵横向拉开档次法"的上市公司经营业绩评价

鉴于目前已具有较全面、完整、连续的有关上市公司各项指标的纵横向数据，为充分利用数据所蕴涵的信息，本文提出运用“纵横向拉开档次”的综合评价方法，其特点是使指标权重的确定能尽量将被评价对象在纵横向拉开档次。将该法运用于安徽地方板块的18家上市公司业绩评价，获得了各公司在1999～2001年间动态发展的分析结果。     

Optical and conductive properties of AlSi-alloy/SiCp composites: application in modelling CO2 laser processing of composites

The optical properties—reflectivity, real part of the refractive index, absorption coefficient as well as the thermal and electrical conductivity of AlSi-alloy/SiC_p composite were measured. The optical parameters and both conductivities decreased with the increase of SiC_p particles volume in AlSi-alloy matrix. This decrease was almost linear for the volume fraction of SiC_p particle up to 10 vol% of the total mass of the composite. For the 15 vol% of SiC_p particles, the departure from linearity is connected with the presence of additional phases in AlSi-alloy/SiC_p composite materials. The measured temperature dependencies of optical reflectivity and electrical conductivity for AlSi-alloy/SiC_p 15 vol% are of metallic character. Modelling of the interaction of the CO₂ laser radiation with AlSi-alloy/SiC_p 15 vol% composite should allow to estimate the initiation time at which the surface composite reaches melting temperature.     

Existence of positive solutions for three-point boundary value problems at resonance

With the help of the theorem of a fixed point index for A-proper semilinear operators established by Cremins, we get a existence theorem concerning the existence of positive solution for the second order ordinary differential equation of three-point boundary value problems at resonance.     

Rook theory and cycle-counting permutation statistics

A statistic is found to combinatorially generate the cycle-counting q-hit numbers, defined algebraically by Haglund [Adv. in Appl. Math. 17 (1996) 408–459]. We then define the notion of a cycle-Mahonian pair of statistics (generalizing that of a Mahonian statistic), and show that our newly discovered statistic is part of such a pair. Finally, we note a second example of a cycle-Mahonian pair of statistics which leads us to define the stronger property of being a cycle-Euler–Mahonian pair.     

Strong limit-point classification of singular Hamiltonian expressions

Strong limit-point criteria for singular Hamiltonian differential expressions with complex coefficients are obtained. The main results are extensions of the previous results due to Everitt, Giertz, and Weidmann for scalar differential expressions.

     

Sn/Ge(1 1 1) α-phase: characterization of image resonances by specular electron reflection and selective electron scattering

Image potential resonances on the Sn/Ge(1 1 1) α-phase are investigated by two closely related methods: specular electron reflection and so-called selective electron scattering. Electrons from image resonances are detected on this surface at 120 and 300 K, i.e. below and above the phase transition at about 200 K. The dispersion of the image resonances reveals at these two temperatures equivalent effective electron masses, which are characteristic for this type of electronic surface states. The results of the two methods are consistent according to the similarity of the scattering processes. Changes in the loss peak intensity with the annealing temperature are assigned to the surface quality and are reflected by characteristic photoemission intensities.     

On the concept of point value in the infinite-dimensional realization theory

In this article, we study the effect of the chosen representation of a point value (and point evaluation) on the class of periodic signals realizable using a certain type of infinite-dimensional linear system. By suitably representing the point evaluation at the origin in a Hilbert space, we are able to give a complete characterization of its extensions. These extensions involve a new concept called δ-sequence, the use of which as an observation operator of an infinite-dimensional linear system is studied in this article. In particular, we consider their use in the realization of periodic signals. We also investigate how the use of δ-sequences affects the convergence properties of such realizations; we consider the rate and character of convergence and the removal of the Gibbs phenomenon. As still a further demonstration of the significance of the chosen concept of a point value, we discuss the use of distributional point values in the realization of periodic distributions. The possible applications of this work lie in regulator problems of infinite-dimensional control theory, as is indicated by the well-known internal model principle.