Revisiting the geometry of nd10 (n+1)s0 [M(H2O)]p+ complexes using four-component relativistic DFT calculations and scalar relativistic correlated CSOV energy decompositions (Mp+ = Cu+, Zn2+, Ag+, Cd2+, Au+, Hg2+).
Christophe GourlaouenJean-Philip PiquemalTrond SaueOlivier PariselPublished in: J. Comput. Chem. (2006)