Jaguar Solvation Settings

Jaguar can treat solvated molecular systems with a self-consistent reaction field method, using either a standard Poisson-Boltzmann solver [15, 222], the polarizable continuum model (PCM) in one of its variants (COSMO [232], GCOSMO [233], C-PCM [234], and SS(v)PE [235],), or the Solvation Model 8 (SM8) [223] or Solvation Model 6 (SM6) approach [231], or the SMD model [321]. These models are treated in the topics listed below.