Lv4
440 积分 2024-08-21 加入
Ab initiostudy of the (0001) surfaces of hematite and chromia: Influence of strong electronic correlations
1小时前
待确认
Density Functional Theory Study of the Initial Stages of Cl-Induced Degradation of α-Cr2O3 Passive Film
1小时前
待确认
From ultrasoft pseudopotentials to the projector augmented-wave method
2小时前
已完结
Projector augmented-wave method
2小时前
已完结
Nudged elastic band method for finding minimum energy paths of transitions
2小时前
已完结
Oxidation energies of transition metal oxides within theGGA+Uframework
3小时前
已完结
Effect of the damping function in dispersion corrected density functional theory
5小时前
已完结
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
5小时前
已完结
The magnetic structure of Co3O4
2个月前
已完结
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