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40 积分 2025-02-19 加入
Adsorption of Naphthalene and Quinoline on Pt, Pd and Rh: A DFT Study
8天前
已完结
Effects ofd-band shape on the surface reactivity of transition-metal alloys
16天前
已完结
Liquid organic and inorganic chemical hydrides for high-capacity hydrogen storage
20天前
已完结
Riemannian denoising model for molecular structure optimization with chemical accuracy
26天前
已完结
Correlating Benzene Hydrogenation Activity with Binding Energies of Hydrogen and Benzene on Co‐Based Bimetallic Catalysts
1个月前
已完结
The adsorption and hydrogenation of benzene and toluene on alumina- and silica- supported palladium and platinum catalysts
2个月前
已完结
High-throughput transition-state searches in zeolite nanopores
2个月前
已完结
Chemical reaction networks and opportunities for machine learning
2个月前
已完结
Accurate transition state generation with an object-aware equivariant elementary reaction diffusion model
2个月前
已完结
Machine learning approaches for transition state prediction
2个月前
已完结
Spectroscopic, computational investigation, anti-bacterial, docking and cytotoxicity studies on 7-hydroxycoumarin as potent anti-breast cancer agent
10个月前
已采纳
Realizing Multicolor, 3D‐Printable Ultralong Room Temperature Phosphorescence PLA Materials via Regulating the π‐System of Aryl‐Annulated Carbazoles
10个月前
已采纳
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