Lv21
190 积分 2023-05-29 加入
Using machine learning to go beyond potential energy surface benchmarking for chemical reactivity
1小时前
待确认
General reactive element-based machine learning potentials for heterogeneous catalysis
1个月前
已完结
Active Zn Species Nest in Dealumination Zeolite Composite for Propane Dehydrogenation
2个月前
已完结
Developing machine learning for heterogeneous catalysis with experimental and computational data
2个月前
已完结
Ultralow Content of Chromium Species in Zeolite for Efficient Catalytic Propane Dehydrogenation
2个月前
已完结
Machine Learning-Accelerated Prediction of Lewis Acid Site Positioning for Long-Chain Mono-olefin Aromatization on Zn2+/HZSM-5 Catalysts
2个月前
已完结
Identifying Catalyst Property Descriptors for CO2 Hydrogenation to Methanol via Big-Data Analysis
2个月前
已完结
C–H activation
4个月前
已完结
Promoted propane dehydrogenation over Pt-In intermetallics via classic strong metal-support interaction
7个月前
已完结
DFT studies of the methyl exchange reaction between Cp2M–CH3or Cp*2M–CH3(Cp = C5H5, Cp* = C5Me5, M = Y, Sc, Ln) and CH4. Does M ionic radius control the reaction?
8个月前
已完结
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