COSMO Solvation Model
|J. Chem Soc. Perkins 2, (1993) 799-805|
|J. Phys. Chem., 99 (1995) 2224-2235|
|J. Phys Chem., 100 (1996) 3349-3353.|
COSMO is a solvation method developed by Andreas Klamt. It is a general method permitting treatment of solvated molecules, given the solvent's dielectric constant. The original COSMO code has been modified to interface with AMPAC™ and has been fully integrated with our configuration interaction methods.