AUTHORS: Dario Vassetti, Ismail Can Oguz, Frédéric Labat DOI: 10.1021/acs.jctc.1c00611 Journal: Journal of Chemical Theory and Computation Abstract We present an extension of a generalized finite-difference Poisson–Boltzmann (FDPB) continuum solvation model based on a self-consistent reaction field treatment to nonaqueous solvents. Implementation and reparametrization of the cavitation, dispersion, and structural (CDS) effects nonelectrostatic model are presented in CRYSTAL,