Keyword category:

Solvation: AMSOL

Description

The BETA=n.nn keyword specifies beta of the desired solvent for an SM5-organic calculation. BETA is defined to be the value that Abraham^[34][35] calls the sum of beta_sub_2 and it denotes a solvent molecule's ability to accept a hydrogen bond. The file solvent.data contains values of BETA for 178 common organic solvents.

See also: