Hydrogen abstraction of methanimine by X12N12 (X = B, Al) nanoclusters: a DFT study
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DOI: 10.1007/s11224-019-01424-8
Abstract: In this work, dissociative adsorption of methanimine (CH2NH) on the surface of B12N12 and Al12N12 nanoclusters is studied at wB97XD/6-31G(d) computational level. The results indicate that the CH2NH molecule is adsorbed on the surface of… read more here.
Keywords: abstraction methanimine; methanimine; hydrogen; methanimine x12n12 ... See more keywords