Abstract
The structures and stabilities of (n = 1–3, Z = −1, 0, +1) clusters have been investigated at CCSD(T) theoretical level. It is shown that the cations have compact structures and enhanced stabilities compared with anions and neutrals. The nature of the interaction is explored using the natural bond orbital, population and electron density analysis.
Acknowledgement
Financial support from the National Science Foundation of China under Grant No. 10804027 is gratefully acknowledged.