Farid F. Abraham
Physical Review Letters
Gibbs free energies were calculated for the gas phase reaction: ion(H 2O)N-1 + H2O(vapour) = ion(H 2O)N for the Li+, Na+, K +, Cl-, and F- ions and for N = 1 to 6. The Monte Carlo method was used to evaluate the appropriate classical expressions of statistical mechanics by employing the intermolecular potential functions recently developed from ab initio Hartree-Fock calculations. Enthalpies and structural information were also calculated. Agreement with experiment is sufficiently good to demonstrate the feasibility of this approach.
Farid F. Abraham
Physical Review Letters
Farid F. Abraham
Physical Review Letters
Michael R. Mruzik, Farid F. Abraham, et al.
The Journal of Chemical Physics
Michael R. Mruzik, Farid F. Abraham, et al.
The Journal of Chemical Physics