| Abstract: | The energy of hydration of Group Ia, IIa, and IIIb metals has been calculated on the basis of the integral equation theory
of molecular liquids. Calculations were performed in the RISM approximation with hypernetted chain closure, partial inclusion
of the orientation effect, and semiempirical corrections for excluded volume and for the existence of hydrogen bonding with
the solute molecule. The analysis of calculation data made it possible to apply a correction to the computation method used,
which ensured better convergence between calculation results and experimental data. |
