Extended Debye-Huckel Theory for Studying the Electrostatic Solvation Energy

The electrostatic part of the solvation energy has been studied by using extended Debye-Huckel (DH) theories. Specifically, our molecular Debye-Huckel theory [J. Chem. Phys. 2011, 135, 104104] and its simplified version, an energy-scaled DebyeHuckel theory, were applied to electrolytes with strong electrostatic coupling. Our theories provide a practical methodology for calculating the electrostatic solvation free energies, and the accuracy was verified for atomic and diatomic charged solutes.