1, A. Ramírez-Solís

Supporting Information

Theoretical study of the aqueous solvation of HgCl₂. Monte Carlo simulations using MP2-derived flexible polarizable interaction potentials.

J. Hernández-Cobos^a,1, A. Ramírez-Solís^b, L. Maron^c and I. Ortega-Blake^a
a Instituto de Ciencias Físicas, Universidad Nacional Autónoma de México, Cuernavaca,

Morelos. 62210 México.

^bDepto. de Física, Facultad de Ciencias, Universidad Autónoma del Estado de

Morelos. Cuernavaca, Morelos 62209, México.

^c Laboratoire de Physico-Chimie de Nano-Objets INSA-Toulouse, Université Paul

Sabatier de Toulouse. 31062 Toulouse, France.

Schemes showing some of the configurations used to generate the Potential Energy Surface to fit the MCDHO model potential.

1. 
   Water with the oxygen atom towards the Hg and Cl atom.
   

2. 
   Water with hydrogen atoms toward the Hg and Cl atoms.
   

3. 
   Water its plane perpendicular to the line of approaching.
   

4. 
   Water with the oxygen atom toward the Cl atom.
   

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