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130 积分 2025-02-25 加入
CO2 Adsorption and Activation on the (110) Chalcopyrite Surfaces: A Dispersion-Corrected DFT + U Study
1天前
已完结
Energetic characterization of the photoactive FeS2 (pyrite) interface
1天前
已完结
Iron disulfide for solar energy conversion
1天前
求助中
New Semiconductors with the Chalcopyrite Structure
1天前
已完结
Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
1天前
已完结
Generalized Gradient Approximation Made Simple
1天前
已完结
Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
1天前
已完结
From ultrasoft pseudopotentials to the projector augmented-wave method
1天前
已完结
Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set
1天前
已完结
Ab initiomolecular dynamics for liquid metals
1天前
已完结
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