Abstract:In this research, kinetics and mechanism of aniline adsorption on different single-walled carbon nanotubes (SWCNT) was investigated, using 2-layer ONIOM (Our own N-layered Integrated molecular Orbital and molecular Mechanics) method at the ONIOM (B3LYP/6-31G (d);UFF) level. Various orientations of aniline relative to the carbon nanotube surface were investigated. To investigate the adsorption of aniline, three models including open-ended (model 1), cap-ended (model 2) and 1-cap-ended (model 3) SWCNT have been … Show more
Understanding the essential roles in adiponitrile hydrogenation is a significant factor to design sparkling nickel catalysts. A series of Ni/Al2O3 catalysts have been synthesized by the deposition-precipitation method and used...
Understanding the essential roles in adiponitrile hydrogenation is a significant factor to design sparkling nickel catalysts. A series of Ni/Al2O3 catalysts have been synthesized by the deposition-precipitation method and used...
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