High-pressure crystal structures and properties of CH4H2 by first principles

来源 :第十二届国际凝聚态理论与计算材料学会议(The 12th International Conference on Con | 被引量 : 0次 | 上传用户:xbq001
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  Recently,people have emphasized on closed shell systems(e.g.CH41,H202-4,Ar5)that have been found to form a number of new intriguing molecular compounds with molecular hydrogen at accessible high pressures.They exhibit many interesting properties with relevance to many fields,for example,the research storage of hydrogen and the seeking of superconductor.
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