Lv11
30 积分 2023-10-18 加入
Intelligent understanding of spectra: from structural elucidation to property design
7小时前
已完结
Atomically dispersed iron sites with a nitrogen–carbon coating as highly active and durable oxygen reduction catalysts for fuel cells
28天前
已完结
A consistent and accurateab initioparametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
2个月前
已完结
CuO and La0.75Sr0.25Cr0.5Mn0.5O3-δ nanoparticles modified Sr2Fe1.5Mo0.5O6-δ perovskite cathodes for CO2 reduction in solid oxide electrolysis cells
2个月前
已完结
OmniXAS: A universal deep-learning framework for materials x-ray absorption spectra
3个月前
已完结
Multicode benchmark on simulated Ti K-edge x-ray absorption spectra of Ti-O compounds
3个月前
已完结
Effects of structural variations to x-ray absorption spectra of g-C3N4: Insight from DFT and TDDFT simulations
3个月前
已完结
Exploring the impact of ions on oxygen K-edge X-ray absorption spectroscopy in NaCl solution using the GW-Bethe-Salpeter-equation approach
7个月前
已完结
A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn
7个月前
已完结
Effects of structural variations to x-ray absorption spectra of g-C3N4: Insight from DFT and TDDFT simulations
7个月前
已完结
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