Multipole moment expansion solvent continuum model

THE MULTIPOLE MOMENT EXPANSION SOLVENT CONTINUUM MODEL A BRIEF REVIEW... 

Abstract The multipole moment expansion solvent continuum model is being developed by our... 

The Multipole Moment Expansion Solvent Continuum Model... 

Ruiz-Lopez MF (2008) The multipole moment expansion solvent continuum model a brief review. In Canuto S (ed) Solvation effects on molecules and biomolecules, vol 6. Challenges and advances in computational chemistry and physics. Springer, Netherlands, pp 23-38. doi 10.1007/978-l-4020-8270-2 2... 

The earlier attempt to approach the electrostatic contribution to the free energy of solvation is due to Kirkwood (1934). This model is based on a multipole expansion of the charge distribution of the solute at the center of a spherical cavity surroimded by a continuum represented by the dielectric permittivity of the solvent. When this expansion is limited to rank 1 which corresponds to a pure dipole fi, one finds the Onsager model (Onsager 1936) in which the electrostatic contribution to the free energy of solvation by a solvent of dielectric constant e of a molecule having a dipole moment in a cavity of radius a takes the expression ... 

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