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中国科学院机构知识库网格

Chinese Academy of Sciences Institutional Repositories Grid

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	Crystal structure prediction of LiBeH3 using ab initio total-energy calculations and evolutionary simulations 期刊论文 OAI收割 JOURNAL OF CHEMICAL PHYSICS, 2008, 卷号: 129, 期号: 23, 页码: 12 作者: Hu, Chao-Hao; Oganov, A. R.; Wang, Y. M.; Zhou, H. Y.; Lyakhov, A. \| 收藏 \| 浏览/下载：36/0 \| 提交时间：2021/02/02 ab initio calculations beryllium compounds crystal structure density functional theory desorption energy gap enthalpy ground states heat of formation high-pressure solid-state phase transformations hydrogen storage lithium compounds space groups
	Crystal structure prediction of LiBeH3 using ab initio total-energy calculations and evolutionary simulations 期刊论文 OAI收割 JOURNAL OF CHEMICAL PHYSICS, 2008, 卷号: 129, 期号: 23, 页码: 12 作者: Hu, Chao-Hao; Oganov, A. R.; Wang, Y. M.; Zhou, H. Y.; Lyakhov, A. \| 收藏 \| 浏览/下载：32/0 \| 提交时间：2021/02/02 ab initio calculations beryllium compounds crystal structure density functional theory desorption energy gap enthalpy ground states heat of formation high-pressure solid-state phase transformations hydrogen storage lithium compounds space groups
	Crystal structure prediction of LiBeH(3) using ab initio total-energy calculations and evolutionary simulations 期刊论文 OAI收割 Journal of Chemical Physics, 2008, 卷号: 129, 期号: 23 C. H. Hu; A. R. Oganov; Y. M. Wang; H. Y. Zhou; A. Lyakhov; J. Hafner 收藏 \| 浏览/下载：22/0 \| 提交时间：2012/04/13 ab initio calculations beryllium compounds crystal structure density functional theory desorption energy gap enthalpy ground states heat of formation high-pressure solid-state phase transformations hydrogen storage lithium compounds space groups hydrogen-storage materials density-functional calculations lithium-beryllium hydrides augmented-wave method light-metal hydrides electronic-structure aluminum hydrides phase-transition stability csmgh3