Lv12
50 积分 2024-07-17 加入
Insights into the mechanism for the catalytic transfer hydrogenation of nitrobenzene to azobenzene on Au (1 0 0) surface under alkaline condition
20小时前
已完结
Mechanism of methanol steam reforming on dual-atom catalysts of PtZn/TiO2 and PdZn/TiO2: Density functional theory studies
20小时前
求助中
Selective separation of thorium and uranyl in phases of different polarity using novel benzoxazole-based ligands: A DFT study
4天前
已完结
Proton transfer from water to anion: Free energy profile from first principles metadynamics simulations
2个月前
已完结
Preliminary studies on ion-pair extractions of Zr, Hf, Nb, and Ta using extractants having tertiary N atom from H2SO4 and HF
2个月前
已关闭
Preliminary studies of XANES and DFT calculation of Ru extraction by imino-diacetamide and related compounds
2个月前
已完结
Extraction of Rh(III) from hydrochloric acid by protonated NTAamide(C6) and analogous compounds and understanding of extraction equilibria by using UV spectroscopy and DFT calculations
2个月前
已完结
One-Step Fabrication of Supramolecular Microcapsules from Microfluidic Droplets
2个月前
已完结
Theoretical insight into the acidity and cooperativity effect of the LLM-105∙(HNO3)2 system
3个月前
已完结
Easy to Use DFT Approach for Computational pKa Determination of Carboxylic Acids
3个月前
已完结
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