用二维复式晶格有限集团模型计算聚乙炔的电子结构

以二维复式晶格作为有限系统的集团模型,在紧束缚近似下,计算了π电子在最近邻及次近邻跳跃集团的态密度.讨论了不同结构参数对态密度及带宽的影响.     

A method for determining optical constants, dimensions, and concentrations of “soft” absorbing particles in the brightening band region

We investigate the possibilities of creating a method for estimating the optical constants, dimensions, and concentrations of “soft” absorbing particles by applying a theoretical analysis of the angular dependence of the intergrated indicatrix, overall characteristics of light scattering, and absorption on the phase shift and diffraction parameter of particles in the brightening band region. We show that using the investigated optical characteristics, it is possible to determine the unknown parameters of a suspension from experimental data. Institute of Biophysics, Siberian Branch of the Russian Academy of Sciences, Akademgorodok, Krasnoyarsk, 660036, Russia. Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 64, No. 6, pp. 807–812, November–December, 1997.     

Gas-liquid chromatography of perfluorocarboxylic thioesters

Perfluorocarboxylic thioesters R_FC(O)SR (R_F=CF₃(CF₂)_j, R=CH₃(CH₂)_i, i andj=0–5) were studied for the first time by GLC on packed columns using SE-30, SKTFT-50X, and XE-60 as the stationary phase. The values of thermodynamics functions of sorption were calculated. The correlations between these functions and the molecular structures as well as the conditions of analysis were established. The insertion of the S atom into the molecules of derivatives of perfluorocarboxylic acids causes a decrease in the contribution of the orientation interaction and an increase in the dispersion interaction of thioesters with the stationary phases compared to esters and amides of perfluorocarboxylic acids studied previously. For Part 1, see Ref. 1. Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 6, pp. 1165–1168, June, 1997.     

Rational approximation in the complex plane using a τ-method and computer algebra

Numerous versions of the Lanczos τ-methods have been extensively used to produce polynomial approximations for functions verifying a linear differential equation with polynomial coefficients. In the case of an initial-value problem, an adapted τ-method based on Chebyshev series and the use of symbolic computation lead to a rational approximation of the solution on a region of the complex plane. Numerical examples show that the simplicity of the method does not prevent a high accuracy of results. This revised version was published online in June 2006 with corrections to the Cover Date.     

皮秒扫描相机在半导体激光管输出特性研究中的应用

本工作用Picotron 200型扫描相机和液态氮冷却的CCD摄相机系统对半导体激光二极管LTO22 MC的输出特性进行了测量,其最短输出脉冲宽度为2.1ps。这种半导体激光二极管的发射波长为780nm,连续工作条件下,其输出功率为3mW到5mW。     

The structure-activity relationship of inhibitors of serotonin uptake and receptor binding

Summary An analysis of five different datasets of inhibitors of serotonin uptake has yielded quantitative structure/ activity relationships (QSARs) which delineate the role of steric and hydrophobic properties essential for inhibition by phenylethylamine-type analogues.     

随机删失场合半参数回归模型参数估计的重对数律‘

本文探讨了随机删失场合半参数回归模型的参数估计问题.考虑半参数回归模型Y =X}}3 + g(T)十。，其中(X,T)’为取值于Kp X [0,1〕上的随机向量，月为1'维未知参数向量，8为定义于【0.1]上的未知函数，。为随机误差，Ee = 0 . Eez = az }。未知，且(X ,T)与。独立，).被一个与之独立的随机变量V所截.此时仅能观察到:Z=min(Y,V),o=1(Y簇V)，参数I3,az的估计量禽及公 z可综合非参数的权函数估计法与参数的最小二乘估计方法得到.本文对核函数的情形得到了念及ar z的精确收敛速度即重对数律.     

Circularly polarized light-induced electrogyration in the Au nanoparticles on the ITO

We have found that the gold nanoparticles on the ITO substrates might be considered promising materials for circularly polarized light-induced linear electrogyration (EG). The maximal achieved value of the EG susceptibility described by third-order axial tensor caused by probe circularly polarized light at a wavelength of 1060 nm was equal to about 13 deg/mm at pulsed electric field strength 30.0 V/cm with a duration of about 1 ms. We have revealed that the maximal EG coefficient is achieved for the samples possessing maximal resistivity. The investigated composites possess long-lived EG grating which decreases by not more than 12% after 120 min of laser treatment. Applying a non-circular pump light leads to the diminishing of the observed EG.     

Behaviors of the positive temperature coefficient of resistance of poly(styrene‐co‐n‐butylacrylate) filled with Ni‐plated core‐shell polymeric particles

Conductive composite films of poly(styrene‐co‐n‐butylacrylate) copolymers filled with low‐density, Ni‐plated core‐shell polymeric particles were prepared and their behaviors of positive temperature coefficient of resistance (PTCR) were investigated. When the conductive fillers in the composite film were loaded beyond the critical volume, 10 up to 25 vol %, composite films exhibited a unique electrical resistant transition behavior, which the electrical resistance rapidly increased by several orders of magnitude at the critical temperature. The PTCR transition temperature, in general, occurred before the glass transition temperature of polymer matrix. Further increased the conductive filler loading to 30 vol %, the overpacked conduction paths were formed in the entire composite and the PTCR effects became blurred. While the composite film treated with thermal cycle several times from room temperature up to 120 °C, the electrical resistivity increased accompanied with the shift of the PTCR transition to lower temperature. The reason might have been caused by the formed interfacial cracks within the composite film. © 2006 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 45: 322–329, 2007     

Mimicking catalase and catecholase enzymes by copper(II)-containing complexes

An imidazolate-bridged copper(II)-zinc(II) complex (Cu(II)-diethylenetriamino-μ-imidazolato-Zn(II)-tris(2-aminoethyl)amine perchlorate (denoted as “Cu,Zn complex”) and a simple copper(II) complex (Cu(II)-tris(2-aminoethyl) amine chloride (“Cu-tren”) were prepared and immobilised on silica gel (by hydrogen or covalent bonds) and montmorillonite (by ion exchange). The immobilised substances were characterised by FT-IR spectroscopy and their thermal characteristics were also studied. The obtained materials were tested in two probe reactions: catalytic oxidation of 3,5-di-tert-butyl catechol (DTBC) (catecholase activity) and the decomposition of hydrogen peroxide (catalase activity). It was found that the catecholase activity of the Cu,Zn complex increased considerably upon immobilization on silica gel via hydrogen bonds and intercalation by ion exchange among the layers of montmorillonite. The imidazolate-bridged copper(II)-zinc(II) complex and its immobilised versions were inactive in hydrogen peroxide decomposition. The Cu(II)-tris(2-aminoethyl)amine chloride complex displayed good catalase activity; however, immobilisation could not improve it.