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81.
Silane photoabsorption spectra mear the Si 2p thresholds:the geometry of Si 2p excited SiH4
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Based on the multiple-scattering self-consistent-field method, we have studied the photoabsorption spectra near the Si 2p thresholds of silane. According to our calculations, the clear assignments of the inner-shell photoabsorption spectra are provided. In comparison with the high-resolution experimental spectra, the geometric structure of the Si 2p-excited SiH_{4}^{**} is recommended to be of a C_{2v} symmetry. More specifically, the Si 2p-excited SiH_{4}^{**} have two bond lengths of 2.50 a.u. and another two bond lengths of 2.77 a.u., and the corresponding two bond angles are 104.0° and 112.5° respectively. 相似文献
82.
C. Baumgarten B. Braun G. Court G. Ciullo P. Ferretti G. Graw W. Haeberli M. Henoch R. Hertenberger N. Koch H. Kolster P. Lenisa A. Nass S.P. Pod'yachev D. Reggiani K. Rith M.C. Simani E. Steffens J. Stewart T. Wise 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2002,18(1):37-49
The use of storage cells has become a standard technique for internal gas targets in conjunction with high energy storage
rings. In case of spin-polarized hydrogen and deuterium gas targets the interaction of the injected atoms with the walls of
the storage cell can lead to depolarization and recombination. Thus the number of wall collisions of the atoms in the target
gas is important for modeling the processes of spin relaxation and recombination. It is shown in this article that the diffusion
process of rarefied gases in long tubes or storage cells can be described with the help of the one-dimensional diffusion equation.
Mathematical methods are presented that allow one to calculate collision age distributions (CAD) and their moments analytically.
These methods provide a better understanding of the different aspects of diffusion than Monte Carlo calculations. Additionally
it is shown that measurements of the atomic density or polarization of a gas sample taken from the center of the tube allow
one to determine the possible range of the corresponding density weighted average values along the tube. The calculations
are applied to the storage cell geometry of the HERMES internal polarized hydrogen and deuterium gas target.
Received 9 July 2001 and Received in final form 18 September 2001 相似文献
83.
阐述了紫外无机非线性光学晶体分子工程学探索方法的基本特点,具体分析深紫外无机非线性光学晶体硼铍酸锶(SBBO)以氟硼铍酸钾(KBBF)为主要参考晶体的分子设计方法,随后根据晶体结构研究、单晶培养、和非线性光学性能测定等实验结果讨论SBBO作为新型深紫外无机晶体的主要优点,即它既具有更短的紫外吸收边(接近155nm)和较大的非线性光学系数(d22(SBBO)=06×d22(BBO)=138pm/V),同时晶体无明显层状习性,并肯有良好的化学稳定性和机械性能 相似文献
84.
Thermal, spectroscopic and electrical properties of lead pyrophosphate glass prepared by melt quenching have been examined.
A model based on the structural disproportionation of the P2O
7
4−
ions has been proposed and is shown to consistently explain all the observations. The equilibrium of various anionic species
has been discussed on the basis of their electronegativities which are in turn related to their basicities.
Communication No. 129 from the Materials Research Centre 相似文献
85.
国内研制的20/30Ⅱ代倒象微光管经常出现微通道板真空体电阻偏高或偏低的问题,直接影响Ⅱ代倒象微光管荧光屏的亮度和目标分辨力,严重影响微光管的质量。经过对20/30Ⅱ代倒象微光管的研制和理论分析,证明英国马拉德公司对用于××1383Ⅱ代倒象微光管的H36微通道板技术条件中真空体电阻技术指标的规定也存在一定的问题。本文从目前国内外工艺水平和有关文献资料的分析出发,进行专题研究。本文中所推导的计算公式和对文献资料提供的技术数据的推导分析,同样适用于其他型号微通道板的真空体电阻与相应Ⅱ代、Ⅲ代微光管匹配关系的计算与研究。 相似文献
86.
87.
There is a high correlation between molecular surface area (TSA) of triorganotin and triorganolead compounds and their toxicity towards a bacterium (Escherichia coli) and an alga (Selenastrum capricornutum). Parallel attempts to correlate other Group IVA organometals incorporating silicon or germanium were unsuccessful. It was further demonstrated, however, that a high correlation was obtainable between certain series of compounds with the same organic substituent but different metal centers involving all Group IVA elements. In both instances, the inability to obtain a quantitative structure-activity relationship (QSAR) for all systems studied appears to be a function of the solubility of the compounds. While organotin TSA values have been found to correlate well with their toxicities toward various organisms, this study clearly suggests that this type of QSAR can be readily extended to include other organometal systems, provided that there is no solubility problem and the toxicity is a function of the hydrophobicity of the organometal compounds. 相似文献
88.
Tatiana B. Mikenas Vladimir A. Zakharov Lyudmila G. Echevskaya Mikhail A. Matsko 《Journal of polymer science. Part A, Polymer chemistry》2007,45(22):5057-5066
The effects of polymerization temperature, polymerization time, ethylene and hydrogen concentration, and effect of comonomers (hexene‐1, propylene) on the activity of supported catalyst of composition LFeCl2/MgCl2‐Al(i‐Bu)3 (L = 2,6‐bis[1‐(2,6‐dimethylphenylimino)ethyl] pyridyl) and polymer characteristics (molecular weight (MW), molecular‐weight distribution (MWD), molecular structure) have been studied. Effective activation energy of ethylene polymerization over LFeCl2/MgCl2‐Al(i‐Bu)3 has a value typical of supported Ziegler–Natta catalysts (11.9 kcal/mol). The polymerization reaction is of the first order with respect to monomer at the ethylene concentration >0.2 mol/L. Addition of small amounts of hydrogen (9–17%) significantly increases the activity; however, further increase in hydrogen concentration decreases the activity. The IRS and DSC analysis of PE indicates that catalyst LFeCl2/MgCl2‐Al(i‐Bu)3 has a very low copolymerizing ability toward propylene and hexene‐1. MW and MWD of PE produced over these catalysts depend on the polymerization time, ethylene and hexene‐1 concentration. The activation effect of hydrogen and other kinetic features of ethylene polymerization over supported catalysts based on the Fe (II) complexes are discussed. © 2007 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 45: 5057–5066, 2007 相似文献
89.
The grain boundary is an interface and the surface tension is one of its important thermodynamic properties. In this paper,
the surface tension of the ∑9 grain boundary for α-Fe at various temperatures and pressures is calculated by means of Computer
Molecular Dynamics (CMD). The results agree satisfactorily with the experimental data. It is shown that the contribution of
entropy to surface tension of grain boundary can be ignored.
The project supported by the National Natural Science Foundation of China and the Science Foundation of Chinese Academy of
Sciences. 相似文献
90.