most citedRelativistic equation-of-motion coupled-cluster method for the ionization problem: Application to molecules

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cond-mat.mtrl-sci2010

Density Functional Theory Based Understanding on the Reactivity of N2 Molecule on Aln (n = 2, 3, 13, 30 and 100) Clusters

Bhakti S. Kulkarni, Sailaja Krishnamurty, Sourav Pal

Reactivity of Aluminum Clusters has been found to exhibit size sensitive variations. This work is motivated by a recent report1 predicting higher reactivity of melted Aluminum clus…