Electronic Structures of Small (RuO) (n = 1-4) Nanoclusters and Their Anions and the Hydrolysis Reactions with Water.

Group 8 (RuO) (n = 1-4) nanoclusters, their anions, and the hydrolysis reactions of the neutral clusters have been studied with the density functional theory (DFT) as well as coupled cluster CCSD(T) theory. The ground state is predicted to be a singlet and a doublet for the neutral RuO clusters and anionic clusters, respectively. The CCSD(T) method is required to predict the correct ground state.