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用相对论有效原子实势 (RECP)和密度泛函 (B3LYP SDD)方法研究了UH ,UH2 基态和低激发态的结构和势能函数 ,导出了分子的光谱数据 .结果表明 ,UH和UH2 的基电子状态分别为X4 Π和X3A2 ,离解能分别为 2 .886eV和5 .2 4 9eV ,UH2 具有C2v对称性 ,得到了UH和UH2 的几个不同的低激发态的结构与光谱数据 .应用多体项展式理论以及数字拟合方法 ,计算得到了UH分子和基态UH2 三原子分子的分析势能函数 ,该函数正确反映了UH和UH2分子的结构特征 ,可用于研究UHH的微观反应动力学 . 相似文献
74.
V. N. Kravchenko N. YA. Minina A. M. Savin I. V. Berman O. P. Hansen C. B. Sorensen 《高压研究》2013,33(2):305-308
Anisotropy of the piezoresistance relaxations has been observed in p -(0 0 1)GaAs/Al 0.5 Ga 0.5 As heterostructures. The character of relaxation process depends on the direction of the applied uniaxial compression: after loading along [1 m 1 0] direction the specimen resistance relaxes down to the lower magnitude while after loading along [1 1 0] direction it relaxes up to the higher magnitude. Shubnikov-de Haas oscillations and Hall effect measurements indicate that variation of the carrier concentration j N in the quantum well during relaxation processes has different signs for uniaxial compression along [1 m 1 0] and [1 1 0] directions and correlates with the corresponding change of the resistance. The piezoelectric field that in GaAs can reach the magnitude E =1.152 2 10 6 V/m at uniaxial stress P =1 kbar along d 1 1 0 ¢ directions is supposed to be responsible for the metastable state after loading (unloading) and redistribution of carriers during the relaxation process. 相似文献
75.
P. Potera S. Ubizskii YA. Zhydachevskii D. Sugak Solskii T. Lukasiewicz 《辐射效应与固体损伤》2013,168(12):821-824
The present work is devoted to investigation of optical absorption in pure and neodymium-doped YAlO3 (YAP) single crystals in the spectral range 0.2–1.1 μm induced by the influence of 12C ions irradiation with energy 4.50 MeV/u (MeV per nucleon) and a fluence 2 × 109 cm?2 or of 235U ion irradiation with energy 9.35 MeV/u and a fluence 5 × 1011 cm?2. The induced absorption in the case of 12C ions irradiation is caused by recharging of point growth defects and impurities under the radiation influence. After irradiation by 235U ions with fluence 5 × 1011 cm?2 the strong absorption rise is probably caused by contribution of the lattice destruction as a result of heavy ion bombardment. 相似文献
76.
Fin materials can be observed in a variety of engineering applications. They are used to ease the dissipation of heat from a heated wall to the surrounding environment. In this work, we consider a nonlinear fin problem with temperature-dependent thermal conductivity and heat transfer coefficient. The equation(s) under study are highly nonlinear. Both the thermal conductivity and the heat transfer coefficient are given as arbitrary functions of temperature. Firstly, we consider the Lie group analysis for different cases of thermal conductivity and the heat transfer coefficients. These classifications are obtained from the Lie group analysis. Then, the first integrals of the nonlinear straight fin problem are constructed by three methods, namely, Noether’s classical method, partial Noether approach and Ibragimov’s nonlocal conservation method. Some exact analytical solutions are also constructed. The obtained result is also compared with the result obtained by other methods. 相似文献
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The reaction of anhydrous YbCl3 with 1 equiv, of Li2Me2Si(NPh)2 in THF, after workup, yielded a ytterbium(Ⅲ) chloride [{Me2Si(NPh)2Yb}(μ2-CI)(TMEDA)]2·3PhMe (1) (TMEDA=tetramethylethanediamine). The same reaction followed by treatment with Na-K alloy afforded a new ytterbium(H) complex supported by a bridged diamide with four coordinated LiC1 molecules, [{Me2Si(NPh)2Yb(THF)2}(μ3-CI)(μ4-CI){Li(THF)}2]2·2THF (2) in high yield. Both complexes were structurally characterized by X-ray analysis to be dimers. Complex 1 was a chlorine-bridged dimer with ytterbium in a distorted octahedral geometry. In complex 2 two [Me2Si(NPh)2Yb(THF)2]- (μ3-CI)[Li(THF)]2 moieties were connected with each other by two μ4-CI bridges to form a "chair-form" framework. 相似文献
79.
A rapid and selective method for the determination of water-soluble boron in complex fertilizers is described. Boron is separated from the sample solution, which should be approximately 0.1 N in hydrochloric acid, by shaking twice with 20% solution of 2-ethyl-1,3-hexanediol in hexone. Following this extraction boron is back-extracted into the aqueous phase with 0.5 N sodium hydroxide. It is finally determined spectrophotometrically at 415 nm using azomethine H as reagent. 相似文献
80.
A general ring-oven procedure was developed for the detection of phosphate, silicate, arsenate or germanate based on the molybdate-benzidine test. Procedures are also described for the simultaneous detection of these anions in mixtures, by means of organic masking agents. A semi-quantitative method is described for the estimation of the four anions; the ring colours of sample solutions are compared with those of standard solutions. Colours obtained from phosphate are stable if the rings are covered with a film of paraffin wax. A preliminary calibration scheme against phosphate is necessary for the other anions because of colour instability. The maximum error found was ±6.35% while the total average error was ±4.3%. 相似文献