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1370 积分
2023-08-21 加入
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Theoretical study on the structures and properties of (HF)nH2O (n = 1–9) composite clusters
1个月前
已完结
Exploring possible reaction pathways for the o‐atom transfer reactions to unsaturated substrates catalyzed by a [Ni‐NO2] ↔ [Ni‐NO] redox couple using DFT methods
1个月前
已完结
Influence of Electron Confinement Effects on the Band Gap of Almost Monatomic EuS2 Layers
2个月前
已完结
Cocrystallization‐driven Formation of fcc‐based Ag110 Nanocluster with Chinese Triple Luban Lock Shape
3个月前
已完结
Dynamic and static insights on the interaction mechanism between heavy metal contaminants in MSW incineration flue gas and modified carbon materials: Aggregation of PbO and CdO
5个月前
已完结
Mechanisms of CH4 activation over oxygen‐preadsorbed transition metals by ReaxFF and AIMD simulations
6个月前
已完结
Machine learning insight into h-BN growth on Pt(111) from atomic states
6个月前
已完结
Structure and thermodynamics of liquid ruthenium and ruthenium-based alloys from ab initio and classical molecular dynamics with embedded atom model potentials
6个月前
已完结
Solvation Structure and UV–Visible Absorption Spectra of the Nitrate Anion at the Air–Ice Interface by First-Principles Molecular Simulations
6个月前
已完结
Atomistic Explanation of the Dramatically Improved Oxygen Reduction Reaction of Jagged Platinum Nanowires, 50 times better than Pt
6个月前
已完结
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8个月前
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