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DFT comparison of PBE,PBE+U and HSE predictions for structure and electronic properties of cubic and
[会议论文] 作者：Y.Meng,X.D.Wen,
来源：The 15th ICQC International Congress of Quantum Chemistry(第1 年份：2015
...
[会议论文] 作者：L.Y.Zheng,X.D.Wen,
来源：The 15th ICQC International Congress of Quantum Chemistry(第1 年份：2015
...
DFT comparison of PBE,PBE+U and HSE predictions for structure and electronic properties of cubic and
[会议论文] 作者：Y.Meng,X.D.Wen,
来源：The 15th ICQC International Congress of Quantum Chemistry(第1 年份：2015
The atom and electronic structure of magnetite both below and above Verwey temperature(Tv≈122K) were calculated by density functional theory(DFT)....
[会议论文] 作者：J.J.Liu,A.J.Xu,X.D.Wen,
来源：The 15th ICQC International Congress of Quantum Chemistry(第1 年份：2015
...
The deactivation process of carbonization on FexCy catalysts surfaces for F-T synthesis:a theoretica
[会议论文] 作者：R.Gao,Y.Yang,X.D.Wen,Y.W.Li,W.Liu,J.Wang,H.Jiao,
来源：The 15th ICQC International Congress of Quantum Chemistry(第1 年份：2015
...
The deactivation process of carbonization on FexCy catalysts surfaces for F-T synthesis:a theoretica
[会议论文] 作者：R.Gao,X.D.Wen,Y.Yang,W.Liu,J.Wang,H.Jiao,Y.W.Li,
来源：The 15th ICQC International Congress of Quantum Chemistry(第1 年份：2015
Fischer-Tropsch synthesis(FTS,CO+2H2 → CxHy+H2O+CO2) becomes a most important alternative of oil in the production of value-added chemicals and synthetic fuels.Due to their high activity and low price...
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