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.     

线性规划的符号跟踪算法

分析了只含一个约束条件的线性规划最优基变量的特征，将其运用到搜寻含m个约束条件的线性规划的最优基变量，从而提出了线性规划的符号跟踪算法，为线性规划求解提供了新途径。     

Functional Quantization and Small Ball Probabilities for Gaussian Processes

Quantization consists in studying the L ^r -error induced by the approximation of a random vector X by a vector (quantized version) taking a finite number n of values. We investigate this problem for Gaussian random vectors in an infinite dimensional Banach space and in particular, for Gaussian processes. A precise link proved by Fehringer⁽⁴⁾ and Dereich et al. ⁽³⁾ relates lower and upper bounds for small ball probabilities with upper and lower bounds for the quantization error, respectively. We establish a complete relationship by showing that the same holds for the direction from the quantization error to small ball probabilities. This allows us to compute the exact rate of convergence to zero of the minimal L ^r -quantization error from logarithmic small ball asymptotics and vice versa.     

微分多项式的值分布

文[2-6]讨论了亚纯函数或代数体函数的微分多项式ω‘(z)-αω^n(z)及ω（z)ω^n(z)的例外值问题。本文利用代数体函数的Nevanlinna值分布理论方法，研究了代数体函数的微分多项式P（ω^(k)(z))-aΠk=1^s(ω(z)-ak)^pk,及a(w^(k)(z)^tw^n(t)的Picard值问题，推广了他们的结果。     

Particle Size Analysis by Transmission Fluctuation Spectrometry: Experimental Results Obtained with a Gaussian Beam and Analog Signal Processing

Transmission fluctuation spectrometry (TFS) is a method for the analysis of particle size distributions based on the statistical fluctuations of a transmission signal. Complete information on the PSD and particle concentration can be retrieved by a special transformation of the transmission signal, whereby the expectancy of the transmission square (ETS) is determined after the signal has been subjected to a procedure of spatial and temporal averaging. By varying the averaging parameters over a wide range, a spectrum of ETSs is obtained and introduced into a linear equation system, which yields the PSD. In the experimental realization presented here, variable temporal averaging is realized in the frequency domain with a series of low pass filters at different cutoff frequencies while spatial averaging inevitably occurs as the particles pass through a focused Gaussian beam of finite cross section. Experimental results on spherical particles (glass beads) and non‐spherical particles (SiC) are presented. The PSDs are resolved in 30 intervals within a particle size range from 1–1000 μm, employing a modified Chahine inversion algorithm. So far, the measurements are limited to moderate particle concentrations. Some influences affecting the measurements, especially for higher particle concentrations, are discussed in detail.     

Optimal control of the obstacle in a quasilinear elliptic variational inequality

In this paper we consider an obstacle control problem where the state satisfies a quasilinear elliptic variational inequality and the control function is the obstacle. The state is chosen to be close to the desire profile while the H² norms of the obstacle is not too large. Existence and necessary conditions for the optimal control are established.     

A new summation identity for the Srivastava-Singhal polynomials

In his recent investigations involving differential operators for some generalizations of the classical Laguerre polynomials, H. Bavinck [J. Phys. A Math. Gen. 29 (1996) L277-L279] encountered and proved a certain summation identity for the classical Laguerre polynomials. The main object of this sequel to Bavinck's work is to prove a generalization of this summation identity for the Srivastava-Singhal polynomials. The demonstration, which is presented here in the general case, differs markedly from the earlier proof given for the known special case. It is also indicated how the general summation identity can be applied to derive the corresponding result for one class of the Konhauser biorthogonal polynomials.     

Qualitative Theory and Identification of Dynamic System with One Degree of Freedom

Dynamic systems described by nonlinear differential equations of the second order are studied. It is assumed that certain preliminary information on the dissipative or elastic characteristics of systems is known. A new approach is demonstrated to obtaining full information on unknown or partially known characteristics of a system from measurements of not only displacements but also velocities and accelerations __________ Published in Prikladnaya Mekhanika, Vol. 41, No. 6, pp. 139–143, June 2005.     

First order dynamic inclusions on time scales

In this paper, we study existence of solutions of first order dynamic inclusions on time scales with general boundary conditions. Both the ∇-derivative and Δ-derivative cases are considered. Examples are presented to illustrate that the Δ-derivative case needs more restrictive assumptions.     

Furtivity and Masking Problems in Time-Dependent Electromagnetic Obstacle Scattering

In this paper, we consider furtivity and masking problems in time-dependent three-dimensional electromagnetic obstacle scattering. That is, we propose a criterion based on a merit function to minimize or to mask the electromagnetic field scattered by a bounded obstacle when hit by an incoming electromagnetic field and, with respect to this criterion, we drive the optimal strategy. These problems are natural generalizations to the context of electromagnetic scattering of the furtivity problem in time-dependent acoustic obstacle scattering presented in Ref. 1. We propose mathematical models of the furtivity and masking time-dependent three-dimensional electromagnetic scattering problems that consist in optimal control problems for systems of partial differential equations derived from the Maxwell equations. These control problems are approached using the Pontryagin maximum principle. We formulate the first-order optimality conditions for the control problems considered as exterior problems defined outside the obstacle for systems of partial differential equations. Moreover, the first-order optimality conditions derived are solved numerically with a highly parallelizable numerical method based on a perturbative series of the type considered in Refs. 2–3. Finally, we assess and validate the mathematical models and the numerical method proposed analyzing the numerical results obtained with a parallel implementation of the numerical method in several experiments on test problems. Impressive speedup factors are obtained executing the algorithms on a parallel machine when the number of processors used in the computation ranges between 1 and 100. Some virtual reality applications and some animations relative to the numerical experiments can be found in the website http://www.econ.unian.it/recchioni/w10/.