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This document discusses a novel approach to understanding the solvation of ionic and dipolar solutes in polar solvents, particularly water, using Gaussian-smoothed test charges and dipoles. The authors propose that this method avoids complications associated with traditional models that introduce excluded volume cores, allowing for a clearer interpretation of solvent dielectric response. The study presents predictive theories for solvation free energies and dynamics, validated through molecular dynamics sim
- Author
- neutrini
- Language
- EN