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64 积分 2022-09-11 加入
From ultrasoft pseudopotentials to the projector augmented-wave method
1个月前
已完结
Generalized Gradient Approximation Made Simple
1个月前
已完结
Ab initiomolecular dynamics for liquid metals
1个月前
已完结
Ab initiomolecular dynamics for open-shell transition metals
1个月前
已完结
Dynamic Hydrogen Bonding Tuned Enantioselectivity Control in Cobaloxime‐Chiral Amine Cooperative Catalysis
1个月前
已完结
Dual‐Site W‐O‐CoP Catalysts for Active and Selective Nitrate Conversion to Ammonia in a Broad Concentration Window
1个月前
已完结
XPS Binding Energy Shifts in 2D Ti3C2Tz MXene go largely Beyond Intuitive Explanations: Rationalization from DFT Simulations and Experiments
1个月前
已完结
Synthesis of amorphous metal oxides via a crystalline to amorphous phase transition strategy
1个月前
已完结
Interfacial Water Structure Modulation on Unconventional Phase Non‐Precious Metal Alloy Nanostructures for Efficient Nitrate Electroreduction to Ammonia in Neutral Media
1个月前
已完结
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