Electrical response in chemical potential equalization schemes

This publication has 29 references indexed in Scilit:

• Parametrizing a polarizable force field from ab initio data. I. The fluctuating point charge model
  The Journal of Chemical Physics, 1999
• Constructing ab initio force fields for molecular dynamics simulations
  The Journal of Chemical Physics, 1998
• Generalized molecular mechanics including quantum electronic structure variation of polar solvents. I. Theoretical formulation via a truncated adiabatic basis set description
  The Journal of Chemical Physics, 1998
• Ab initio molecular dynamics simulation of liquid hydrogen fluoride
  The Journal of Chemical Physics, 1997
• Ab initiomolecular dynamics simulation of liquids and solutions
  Journal of Physics: Condensed Matter, 1996
• Ab initio molecular dynamics simulation of liquid water: Comparison of three gradient-corrected density functionals
  The Journal of Chemical Physics, 1996
• Ab initio molecular dynamics simulation of the solvation and transport of hydronium and hydroxyl ions in water
  The Journal of Chemical Physics, 1995
• Molecular-dynamics simulation of liquid methanol
  The Journal of Physical Chemistry, 1987
• Unified Approach for Molecular Dynamics and Density-Functional Theory
  Physical Review Letters, 1985
• Molecular Dynamics Study of Liquid Water
  The Journal of Chemical Physics, 1971