The title complex [Cu(4,4′-bpy)(H2O)3]SO4·2H2O (Mr=405.86) was synthesized under hydrothermal conditions and its crystal structure has been determined by
Eight species, HRgX (Rg = He, Ne, Ar, Kr; X = Cl, Br), are predicted to have bending transition states at B3PW91/AUG-cc-PVTZ level, leading to 2-body decomposit