Dramatic Reduction in Activation Barrier for Dinitrogen Splitting Using Amine-Borane as Hydrogen Carrier: Insights from DFT Study

Chem. Commun., 2013, Accepted Manuscript
DOI: 10.1039/C3CC48285E, Communication

Tanmay Malakar, Ankan Paul
DFT based mechanistic investigations on a silica surface supported Tantalum system reveal that there is a significant reduction in free energy activation barrier for N[identical with]N bond dissociation on using a...
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