Refinement and Parametrization of COSMO-RS

This publication has 22 references indexed in Scilit:

• New Model for Calculation of Solvation Free Energies: Correction of Self-Consistent Reaction Field Continuum Dielectric Theory for Short-Range Hydrogen-Bonding Effects
  The Journal of Physical Chemistry, 1996
• Solvation Free Energies of Amides and Amines: Disagreement between Free Energy Calculations and Experiment
  Journal of the American Chemical Society, 1995
• Molecular Interactions in Solution: An Overview of Methods Based on Continuous Distributions of the Solvent
  Chemical Reviews, 1994
• COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient
  Journal of the Chemical Society, Perkin Transactions 2, 1993
• Accurate and simple analytic representation of the electron-gas correlation energy
  Physical Review B, 1992
• Density-functional exchange-energy approximation with correct asymptotic behavior
  Physical Review A, 1988
• Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
  Physical Review B, 1988
• Density-functional approximation for the correlation energy of the inhomogeneous electron gas
  Physical Review B, 1986
• Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model
  Journal of the American Chemical Society, 1985
• Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis
  Canadian Journal of Physics, 1980