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10 积分 2024-07-17 加入
A novel photoanode based on Thorium oxide (ThO2) incorporated with graphitic Carbon nitride (g-C3N4) for Photoelectrochemical water splitting
1年前
已完结
Effect of the damping function in dispersion corrected density functional theory
1年前
已完结
Generalized Gradient Approximation Made Simple
1年前
已完结
Relativistic separable dual-space Gaussian pseudopotentials from H to Rn
1年前
已完结
Pseudopotentials for H to Kr optimized for gradient-corrected exchange-correlation functionals
1年前
已完结
Pseudopotentials for H to Kr optimized for gradient-corrected exchange-correlation functionals
1年前
已完结
Gaussian basis sets for accurate calculations on molecular systems in gas and condensed phases
1年前
已完结
Quickstep: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach
1年前
已完结
Insights into the mechanism for the catalytic transfer hydrogenation of nitrobenzene to azobenzene on Au (1 0 0) surface under alkaline condition
1年前
已完结
Mechanism of methanol steam reforming on dual-atom catalysts of PtZn/TiO2 and PdZn/TiO2: Density functional theory studies
1年前
已关闭
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