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442 积分 2025-07-26 加入
Electronic Communication between Co and Ru Sites Decorated on Nitrogen-doped Carbon Nanotubes Boost the Alkaline Hydrogen Evolution Reaction
29天前
已关闭
Interplay of Acid Sites and Surface Hydrophobicity in Tin Silicate Catalysts
1个月前
已完结
Regulating the Atypical Brønsted Acidity of Zr-SBA-16 Catalysts for Selective Ethanol Conversion to Butene-Rich C 3+ Olefins
1个月前
已完结
Flexible Regulation of Product Distribution in Cyclohexane Cracking Catalyzed by Acid–Base Bifunctional Catalyst
1个月前
已完结
Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode
1个月前
已完结
Bonded-atom fragments for describing molecular charge densities
1个月前
已完结
Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction
1个月前
已完结
Hardness conserving semilocal pseudopotentials
1个月前
已完结
Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)]
1个月前
已完结
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
1个月前
已完结
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