Theoretical Study for Autoionization of Liquid Water: Temperature Dependence of the Ionic Product (pK_w)

This publication has 24 references indexed in Scilit:

• Analytical energy gradient for the reference interaction site model multiconfigurational self-consistent-field method: Application to 1,2-difluoroethylene in aqueous solution
  The Journal of Chemical Physics, 1996
• Hybrid Quantum and Molecular Mechanical Simulations: An Alternative Avenue to Solvent Effects in Organic Chemistry
  Accounts of Chemical Research, 1996
• Theoretical study for the basicities of methylamines in aqueous solution: A RISM-SCF calculation of solvation thermodynamics
  Chemical Physics, 1996
• Ab Initio Molecular Dynamics Simulation of the Solvation and Transport of H3O+ and OH- Ions in Water
  The Journal of Physical Chemistry, 1995
• Proton Transfer in the Mono- and the Dihydrated Complexes of HF and HCl: An MP2/6-31+G ab Initio Study in the Self-Consistent Reaction Field Model of Solvation
  The Journal of Physical Chemistry, 1994
• A hybrid approach for the solvent effect on the electronic structure of a solute based on the RISM and Hartree-Fock equations
  Chemical Physics Letters, 1993
• Proton transfer between water molecules: a theoretical study of solvent effects using the continuum and the discrete-continuum models
  The Journal of Physical Chemistry, 1993
• Theoretical studies of pKa'S for organic compounds in aqueous solution
  Chemical Physics Letters, 1990
• Ionization potentials and electron affinities in aqueous solution
  Journal of the American Chemical Society, 1986
• Fluoride solutions in carboxylic acids: ab initio calculations incorporating solvation effects, and infrared studies
  Chemical Physics Letters, 1981