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41.
A. V. Sokolov 《Russian Chemical Bulletin》1992,41(10):1750-1755
The concept of the apparent electronegativity of a reaction site has been introduced. This has been used to develop a new scheme for calculating the relative rate constants of addition of radicals with different structures to vinyl monomers. The parameters of the scheme are given for 40 reagents. The results of a comparison of calculated and literature rate constants of addition are presented.Institute of Nonaqueous Solution Chemistry, Russian Academy of Sciences, 150003 Ivanovo. Translated from Izvestiya Akademii Nauk, Seriya Khimicheskaya, No. 10, pp. 2238–2245, October, 1992. 相似文献
42.
Jerzy Cioslowski 《Theoretical chemistry accounts》1992,81(4-5):319-327
Summary A new index, called the differential density matrix overlap (DDMO), is proposed for assessment of the electron correlation effects in atoms and molecules. DDMO can be easily calculated as the negative value of the correlation energy derivative with respect to the relative position of the occupied and virtual orbitals. DDMO is transparent to physical interpretation. It can serve as a tool for analyzing the accuracy of approximate electron correlation methods and the validity of the Hartree-Fock wavefunction as the zeroth-order approximation. The properties of DDMO are discussed using test calculations on 11 atoms and molecules as an example. 相似文献
43.
We investigate a multicomponent anisotropic liquid system. The first spatial moment of the direct correlation function is taken into account to obtain asymptotic expressions for the pairwise correlation functions. In this approximation, we obtain the pairwise correlation functions that describe the system behavior not only in the critical-state neighborhood but also in the noncritical domain. We show that the critical parameters for the anisotropic system differ from those for the isotropic system. 相似文献
44.
Z.J. Liu H.H. Long W.C. Ye X.X. Zou Z.L. Qin E.P. Li J.S. Chen 《Journal of magnetism and magnetic materials》2006
In this paper, specific issues related to high-density perpendicular magnetic recording processes, such as transition noise properties and cross-track correlation lengths, were investigated with the help of micromagnetic analysis. The effects of media parameters were taken into consideration, including intergranular exchange coupling, and exchange distribution, irregular grain shapes, magnetization saturation distribution, and anisotropy distribution. The micromagnetic simulation results showed that the effect of anisotropy distribution on transition noise is more significant than magnetization saturation distribution, and it is crucial to reduce this effect to achieve a high signal-to-noise ratio. Additionally, a new method to further estimate the partial erasure threshold was proposed to approximate the partial erasure effects, and the relation between the microtrack jitter and total track jitter was investigated. 相似文献
45.
相关系数与相关性度量 总被引:2,自引:0,他引:2
研究了度量相关性的两个主要工具:线性相关系数和尾部相关系数.线性相关系数反映了变量间的线性相关性,这对于一般的椭圆型分布是合适的.但如果随机变量具有不对称的尾部变化特征时,要用尾部相关系数描述它们之间的相关性.通过相关函数C opu la,对沪深股市的尾部相关系数进行了定量分析.结果表明:沪深股市具有较强的相关性. 相似文献
46.
Applied Biochemistry and Biotechnology - 相似文献
47.
在考虑自由体积和局部临界扩散势能的基础上,提出一种新的计算自扩散系数模型,并给出新模型中各个因子物理含义.同时还提出一种计算局部临界扩散势能的新方法,并应用于新模型.另外将衍生van der Waals状态方程应用于求解自由体积,式中所需径向分布函数由Morsali-Goharshadi方程得到.在相同条件下,新模型比原自由体积模型更准确. 相似文献
48.
49.
联合功率谱的高频成份对相关峰识别具有重要作用,实验中记录的联合功率谱随着频率的增加其强度迅速降低。为增强联合功率谱的高频成分,改善其调制程度,可对功率谱进行对数变换,从而有效保留更多的高频成份,压低零级衍射光斑,提高联合变换相关器的识别能力。 相似文献
50.
A new microtensile tester for the study of MEMS materials with the aid of atomic force microscopy 总被引:4,自引:0,他引:4
An apparatus has been designed and implemented to measure the elastic tensile properties (Young's modulus and tensile strength)
of surface micromachined polysilicon specimens. The tensile specimens are “dog-bone” shaped ending in a large “paddle” for
convenient electrostatic or, in the improved apparatus, ultraviolet (UV) light curable adhesive gripping deposited with electrostatically
controlled manipulation. The typical test section of the specimens is 400 μm long with 2 μm×50 μm cross section. The new device
supports a nanomechanics method developed in our laboratory to acquire surface topologies of deforming specimens by means
of Atomic Force Microscopy (AFM) to determine (fields of) strains via Digital Image Correlation (DIC). With this tool, high
strength or non-linearly behaving materials can be tested under different environmental conditions by measuring the strains
directly on the surface of the film with nanometer resolution. 相似文献