Royal Society of Chemistry, Physical Chemistry Chemical Physics, 3(18), p. 1537-1550
DOI: 10.1039/c5cp04826e
Full text: Unavailable
Hartree–Fock (HF) and second order perturbation theory (MP2) calculations within the scalar and full relativistic frames were carried out in order to determine the equilibrium geometries and interaction energies between cationic methylmercury (CH3Hg+) and up to three water molecules.