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22 积分 2023-10-19 加入
Development of a Boron Nitride Precursor Chemical Kinetic Model Using Reaction Mechanism Generator (RMG) Framework
3天前
已完结
Machine learning-assisted dual-atom sites design with interpretable descriptors unifying electrocatalytic reactions
6天前
已完结
The path of chemical reactions - the IRC approach
17天前
已完结
Modulation of the textures and chemical nature of C–SiC as the support of Pd for liquid phase hydrogenation
17天前
已完结
Radical Chemistry and Reaction Mechanisms of Propane Oxidative Dehydrogenation over Hexagonal Boron Nitride Catalysts
18天前
已完结
Predicting the rates of photocatalytic hydrogen evolution over cocatalyst-deposited TiO2 using machine learning with active photon flux as unifying feature
1个月前
已完结
Machine learning assisted prediction of copper-based catalysts towards carbon dioxide electroreduction into carbon monoxide
1个月前
已完结
Machine learning assisted prediction of copper-based catalysts towards carbon dioxide electroreduction into carbon monoxide
1个月前
已关闭
Predicting transition state and activation energies in n-hexane cracking over zeolites: Combined DFT calculations and estimations with the SISSO method
1个月前
已完结
Efficient Screening of Metal Promoters of Pt Catalysts for C–H Bond Activation in Propane Dehydrogenation from a Combined First-Principles Calculations and Machine-Learning Study
1个月前
已完结
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