“…The importance of solvation or hydration mechanisms and their accompanying free energy change has rendered in silico calculation methods for the solvation energy one of the most important applications in computational chemistry [33,16,69,15,37,32,61,11,40,35,38,53,34,41,31,63,76,19,14,17,75,6,50,21,12,3,48,54,67,46]. Solvation free energy directly influences numerous chemical properties in condensed phases and plays a dominant role in various chemical reactions, such as drug delivery [16,63,19,47], organic synthesis [49], electrochemical redox reactions [68,43,1,28], etc.…”