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How to Obtain Refined Potential Surfaces for the Solvent Molecules

How to Obtain Refined Potential Surfaces for the Solvent Molecules [Pg.76]

The parameter sets of Table 3.1 and the potential functions of eq. (3.1) provide an approximate description of the potential surface associated with a collection of water molecules. [Pg.76]



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Molecule potential

Potential refinements

Potentials for surfaces

Solvent molecules

Solvent refined

Solvent refining

Solvents potential surfaces

Surface molecules

The surface potential

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