Journal of Chemical Physics, Vol.102, No.2, 839-849, 1995
Structures, Energetics, and Spectra of Aqua-Sodium(I) - Thermodynamic Effects and Nonadditive Interactions
Keywords:MOLECULAR-DYNAMICS SIMULATIONS;GAUSSIAN BASIS FUNCTIONS;GAS-PHASE HYDRATION;ATOMIC BASIS SETS;FIRST-ROW ATOMS;POLARIZABLE WATER;AQUEOUS-SOLUTIONS;ION SOLVATION;FREE-ENERGY;CL IONS