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670 积分 2025-10-26 加入
Exploring the hydrogen interaction on Zn12O12 nanocages: A first-principles study
23小时前
求助中
Mechanism of Methanol Synthesis from CO2 Hydrogenation over Pt8/In2O3 Catalysts: A Combined Study on Density Functional Theory and Microkinetic Modeling
1天前
待确认
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
4天前
已完结
Molecular crystals vs. superatomic lattice: a case study with superalkali-superhalogen compounds
4天前
已完结
Semiconductor Cluster with High Reduction Potential and Efficient Charge Transfer Enables Visible‐Light‐Driven Activation of Inert Organic Substrates
5天前
已完结
A multiresponsive luminescent probe for Fe3+, acetone and pesticides with a europium (III) metal-organic framework
8天前
已完结
Microstructure modulation via Ca doping enhances LaCoO3 supercapacitor electrochemical performance
8天前
已完结
On the Catalytic Performance of (ZrO)n (n=1–4) Clusters for CO Oxidation: A DFT Study
9天前
已完结
Probing the structural evolution and electronic characteristics of boron clusters doped with two tantalum: A DFT study of Ta2Bn− (n = 10–20) clusters
9天前
已完结
A DFT study of eugenol adsorption onto pure and Si-doped Al12N12 and B12N12 fullerene-like nanocages
9天前
已关闭
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