MOESM1 of A new insight of structures, bonding and electronic properties for 6-mercaptopurine and Ag8 clusters configurations: a theoretical perspective

Additional file 1: Table S1. Zero point energy (ZPE, a.u.), total energy (ET, a.u.), standard Gibbs free energy (Gθ, a.u.) and enthalpy (Hθ, a.u.) at 298.15 K obtained at the B3LYP/6-311++G**//LanL2DZ level for ten complexes.