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101.
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
102.
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
103.
104.
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
105.
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
106.
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
107.
提出并使用如下广义复合隐迭代格式逼近非扩张映像族{Ti}Ni=1公共不动点:{xn=αnxn-1 (1-αn)Tnyn,yn=rnxn snxn-1 tnTnxn wnTnxn-1,rn sn tn wn=1,{αn},{rn},{sn},{tn},{wn}∈[0,1],这里Tn=TnmodN.该文提出的广义复合隐迭代格式包含了目前多种迭代格式,因此,所得强弱收敛定理推广及发展了Mann,Ishikawa,XuandOri,等许多作者的结果. 相似文献
108.
109.
Transfer matrix approach of vibration isolation analysis of periodic composite structure 总被引:1,自引:0,他引:1
Wang Yong Huang Qibai Zhou Minggang Xu Zhisheng 《Archive of Applied Mechanics (Ingenieur Archiv)》2007,77(7):461-471
The transmission properties of elastic waves propagating in a three-dimensional composite structure embedded periodically
with spherical inclusions are analyzed by the transfer matrix method in this paper. Firstly, the periodic composite structures
are divided into many layers, the transfer matrix of monolayer structure is deduced by the wave equations, and the transfer
matrix of the entire structure is obtained in the case of boundary conditions of displacement and stress continuity between
layers. Then, the effective impedance of the structure is analyzed to calculate its reflectivity and transmissivity of vibration
isolation. Finally, numerical simulation is carried out; the experiment results validate the accuracy and feasibility of the
method adopted in the paper and some useful conclusions are obtained.
Project (No. 50075029) supported by the National Natural Science Foundation of China. 相似文献
110.
运用多种密度泛函理论 (DFT)和从头算 (abinitio)方法研究了草酰胺顺、反异构体的分子几何构型 ,结果表明Beck88交换函数与LYP非局域相关函数形成杂化的DFT方法B3LYP与MP2方法计算结果比较吻合。在此基础上选择B3LYP方法对草酰胺分子电子结构、红外光谱和前线分子轨道组成进行了系统研究 ;与实验事实对比分析了气态草酰胺分子中配位原子的反应活性 相似文献