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42 积分 2025-11-11 加入
Mechanisms and Origins of Periselectivity of the Ambimodal [6 + 4] Cycloadditions of Tropone to Dimethylfulvene
1个月前
已完结
Density Functional Theory Study of Arsenic Adsorption on the Fe2O3 (001) Surface
1个月前
已完结
Study of the enhancement of mechanochemical modification on fly ash for CO2 mineralization and inhibiting characteristics for coal spontaneous combustion
2个月前
已关闭
Unraveling the Role of CeO 2 Facets in Regulating the Dispersion, Stability, and Activity of Cu Sub-Nanometer Clusters for Water−Gas Shift Reaction
3个月前
已完结
A Comprehensive Theoretical Study of the Mechanism for Dry Reforming of Methane on a Ni4/ZrO2(101) Catalyst Under External Electric Fields: The Role of Interface and Oxygen Vacancy
3个月前
已完结
Acetylene Semihydrogenation over Pd–Bi Intermetallic Compounds: A DFT Combined with Microkinetic Modeling Study
3个月前
已完结
Structure Sensitivity of the Water–Gas Shift Reaction over Cu/CeO2: A Combination of DFT, MF-MKM, and kMC
3个月前
已完结
First-principles based microkinetic modeling of transient kinetics of CO hydrogenation on cobalt catalysts
3个月前
已完结
A First-Principles Study and Microkinetic Simulation of Ammonia Decomposition on CoIrNiRhRu High-Entropy Alloy Surfaces
4个月前
已完结
Microkinetic modeling for heterogeneous catalysis: methods and illustrative applications
4个月前
已完结
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