Ab initio studies of O-2 (H2O)n and O-3 (H2O)n anionic molecular clusters, ≤12

Abstract

An ab initio study of gaseous clusters of O-2 and O-3 with water is presented. Based on thorough scans of configurational space, we determine the thermodynamics of cluster growth. The results are in good agreement with benchmark computational methods and existing experimental data. We find that anionic O-2(H 2O) and O-3(H2. © Author(s) 2011.