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[会议论文] 作者：Rui Gao,Dong-Bo Cao,Yong-Wang Li,Jianguo Wang,Haijun Jiao,
来源：第十二届全国量子化学会议 年份：2014
The adsorption of H2O molecules and O atoms totaly on 11 surfaces of χ-Fe5C2 has been investigated with spin-polarized density functional theory(GGA-PBE)calculations.All the adsorption structures of H...
[会议论文] 作者：Peng Zhao,Yurong He,Dong-Bo Cao,Xiaodong Wen,Hongwei Xiang,Haijun Jiao,
来源：The 15th ICQC International Congress of Quantum Chemistry(第1 年份：2015
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