Christophe Gourlaouen, Jean-Philip Piquemal, Trond Saue, Olivier Parisel. 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+).
Journal of Computational Chemistry, Wiley, 2006, 27 (2), pp.142-156.
⟨10.1002/jcc.20329⟩.
⟨hal-02127159⟩