) , where 𝐸𝐸 complex soln and 𝐸𝐸 𝐴𝐴 soln denote energy of complex and that of fragment A calculated under solvation model such as SMD, respectively, while 𝐸𝐸 complex vac and 𝐸𝐸 𝐴𝐴 vac denote the counterparts calculated in vacuum. In fact, ∆𝐸𝐸 int solv can be further decomposed to polar and nonpolar contributions to provide a deeper insight, as SMD defines them separately.