The optimized ellisoidal cavity and its application to the self‐consistent reaction field calculation of hydration energies of cations and neutral molecules

This publication has 39 references indexed in Scilit:

• AM1 calculations of reaction field effects on the tautomeric equilibria of nucleic acid pyrimidine and purine bases and their 1-methyl analogs
  Journal of the American Chemical Society, 1991
• An AM1 and PM3 molecular orbital and self-consistent reaction-field study of the aqueous solvation of glycine, alanine and proline in their neutral and zwitterionic forms
  Journal of the Chemical Society, Perkin Transactions 2, 1991
• Heats of hydration of organic ions: predictive relations and analysis of solvation factors based on ion clustering
  The Journal of Physical Chemistry, 1987
• The ionic hydrogen bond and ion solvation. 2. Solvation of onium ions by one to seven water molecules. Relations between monomolecular, specific, and bulk hydrogen
  Journal of the American Chemical Society, 1984
• A simple method for predicting hydration energies of organic cations derived from protonation or alkylation of neutral oxygen and nitrogen bases
  The Journal of Organic Chemistry, 1983
• Ab initio SCF calculations on electrostatically solvated molecules using a deformable three axes ellipsoidal cavity
  The Journal of Chemical Physics, 1983
• Hydrogen bonding of water to onium ions. Hydration of substituted pyridinium ions and related systems
  Journal of the American Chemical Society, 1979
• Thermodynamic properties of tetra-alkylammonium ions in aqueous solution
  J. Chem. Soc., Dalton Trans., 1973
• Electrode Potentials and Hydration Energies. Theories and Correlations
  Chemical Reviews, 1965
• The Deduction of Reaction Mechanisms from the Theory of Absolute Rates
  The Journal of Chemical Physics, 1937