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48 积分 2023-10-18 加入
Solvation-configurational entropy governs interfacial kinetics in low-temperature batteries
21天前
已完结
Advances and Challenges of SCAN and r2SCAN Density Functionals in Transition‐Metal Compounds
3个月前
已完结
Tuning axial ligand coordination for enhanced activity and selectivity in metal–nitrogen–carbon single-atom catalysts for the oxygen reduction reaction
4个月前
已完结
Identifying high-spin hydroxyl-coordinated Fe3+N4 as the active centre for acidic oxygen reduction using molecular model catalysts
5个月前
已完结
A deep learning model for predicting selected organic molecular spectra
6个月前
已完结
A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn
6个月前
已完结
Intelligent understanding of spectra: from structural elucidation to property design
6个月前
已完结
Atomically dispersed iron sites with a nitrogen–carbon coating as highly active and durable oxygen reduction catalysts for fuel cells
7个月前
已完结