A new definition of cavities for the computation of solvation free energies by the polarizable continuum model
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.474671
Reference35 articles.
1. Molecular Interactions in Solution: An Overview of Methods Based on Continuous Distributions of the Solvent
2. Electrostatic interaction of a solute with a continuum. A direct utilizaion of AB initio molecular potentials for the prevision of solvent effects
3. Ab initio study of solvated molecules: a new implementation of the polarizable continuum model
4. Extension of MST/SCRF method to organic solvents:Ab initio and semiempirical parametrization for neutral solutes in CCl4
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