Tuesday, June 30, 2015

Oxidative addition of the C-I bond on aluminum nanoclusters

Nanoscale, 2015, Advance Article
DOI: 10.1039/C5NR02278A, Paper
Turbasu Sengupta, Susanta Das, Sourav Pal
A comprehensive study on the reactivities and the reaction mechanism of aluminum nanoclusters towards oxidative addition of the C-I bond using DFT and BOMD simulation is carried out.
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