Christophe Gourlaouen, Jean-Philip Piquemal, Olivier Parisel. [Pb(H2O)]2+ and [Pb(OH)]+: Four-component density functional theory calculations, correlated scalar relativistic constrained-space orbital variation energy decompositions, and topological analysis.
Journal of Chemical Physics, American Institute of Physics, 2006, 124 (17), pp.174311.
⟨10.1063/1.2186994⟩.
⟨hal-02127222⟩