Exploring americium and curium water clusters: gas-phase structures, solvation numbers, solvent and entropy effects

We investigated the global-minimum structures, bonding interactions, and solvation behaviors of An(H 2 O) n 3+ (An = Am 3+ , Cm 3+ ; n = 1–20) using DFT, and large Am(H 2 O) n 3+ clusters ( n = 50–600) at the force field level.