氢化物

Based on the analysis of the Jahn-Teller effect,vibronic interaction and the resolution of group representations, the possiblegcometrical configurations of 〓 have been derived for the first time, the results arein good agreement with the calculation esults.Firstly, the reasonable dissociative limits for the diatomic molecules of ZrCo,ZrH, CoH, UH,〓 and AlNi have been derived based on the Atomic and MolecularReactive Statics and the resolution of group representations. The groundelectronic states, which are 〓,〓,〓 and 〓 respectively for thesemolecules, have also been optimized based on the RECP method.

本文根据相对论有效原子实势和密度泛函理论方法(B3LYP／SDD与B3LYP／6-311G〓)，用Gaussian-98W程序研究了ZrCo、ZrH、CoH、UH、〓、AlNi、〓、HZrCo和〓分子的分子结构、分析势能函数、微观力学性质和光谱性质；首次建立了计算固体金属氢化物体系宏观性质理论模型，并应用于ZrCo、Zr和Co的氢化反应体系研究，理论计算与实验结果基本一致；基于Monte-Carlo准经典轨线方法，首次研究了H与ZrCo和Co与HZr的分子反应动力学。

The mechanism of the improved dehydrogenating properties of the NaMgH3 hydride doped by both Ti and F ions was investigated based on the density functional theory.

采用基于密度泛函理论的平面波赝势方法，探讨了Ti阳离子与F阴离子共同掺杂对氢化物NaMgH3放氢性能影响的内在机理。

Zircaloy-4 tubal samples containing some homogenized distribution of hydride blocks were processed by mean of optimizing procedure of hydrogenating and heat treatment.

通过对渗氢工艺和热处理工艺的优化，在锆管内部获得均匀分布的氢化物团块区。

It is found that Ni is an indispensable element in Zr-based Laves phase hydrogen storage electrode.

本文首先综述了国内外金属氢化物-镍电池及锆系Laves相贮氢电极的研究进展情况。

XRD, SEM and EDAX tests showed the Zr-based Laves phase alloy consists of at least 8 phases.

本文首先综述了国内外金属氢化物-镍电池及锆系Laves相贮氢电极的研究进展情况。

The probable application of hydrogen isotopes and metal hydrides to future energy source is reviewed.

评述了氢同位素与金属氢化物在未来能源中的应用。

Metal hydrides, such as LiBH4 and LiAlH4 are used preferably as hydrogen-containing fuels.

金属氢化物如LiBH 4 和LiAlH 4 优选被用作含氢燃料。

The combination of these hydrides with some transition metal complexes exhibits high catalytic activity for the hydrogenation of olefins.

它们具有比一般市售碱金属氢化物高得多的反应活性，并能与过渡金属配合物组成高活性烯烃加氢催化。

The effects of nonstoichiometric ratio x on the structure, thermodynamic properties for the alloys MmBx (Mm=mischmetal, B=Ni0.72Mn0.08Co0.14Al0.06, x=4.2 - 5.5) and the charge-discharge performances of metal hydride electrodes were investigated.

本文研究了非化学计量比混合稀土-镍系贮氢合金MmBx的配比数x对合金结构、热力学性能和金属氢化物电极充放电性能的影响。

O disturbed nickel carbonyl hydride species, monodentate formate species and bidentate formate species are possible intermediates in the methanation of CO〓, the bidentate formate speciea is most stable.

在CO〓加氢反应过程中，可能生成O扰动Ni羰基氢化物、单齿甲酸盐类和双齿甲酸盐类物种，后一物种能量最低。

I didn't watch TV last night, because it .

昨晚我没有看电视，因为电视机坏了。

Since this year, in a lot of villages of Beijing, TV of elevator liquid crystal was removed.

今年以来，在北京的很多小区里，电梯液晶电视被撤了下来。