Author/Authors :
Mikkelsen، نويسنده , , Kurt V. and Ruud، نويسنده , , Kenneth and Helgaker، نويسنده , , Trygve، نويسنده ,
Abstract :
We apply a recently developed model for calculating gauge origin independent molecular magnetic properties of solvated molecules to determine the magnetizability and nuclear shielding constants of solvated water. The solute is surrounded by a solvation shell and this supermolecule is enclosed in a spherical cavity immersed in a dielectric medium.
