Ab initio calculations were performed for X ϩ (H 2) n clusters ͓XϭLi, Na (nϭ1-7) and K (n ϭ1-3)͔. For nϭ1-6, the equilibrium geometries correspond to spherically symmetrical distributions of H 2 units around the X ϩ. The binding energies and the geometric parameters indicate that the seventh H 2 unit opens a new shell of ligands for the cluster with XϭLi but not for XϭNa.
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