Program Description of AMSOL 7.1

AMSOL 7.1 contains the solvation models SM1, SM2, SM3, SM2.1, SM3.1 for free energies of solvation in aqueous solutions, SM4 for solvation energies in alkane solvents, SM5.0 (very fast) and SM5.2 for solvation in water or organic solvents, the CM1, CM2, and CM3 class IV charge models for partial atomic charges of gas-phase molecules and of solutes in liquids, and solvation models SM5.4 and SM5.42 for partial atomic charges and solvation in water and organic solvents based on class IV charges.  AMSOL also contains the full capabilities of AMPAC 2.1 for gas-phase calcuations.  AMSOL is written using the FORTRAN 77 programming language.   AMSOL is based primarily on the AM1 and PM3 semiempirical molecular orbital methods.

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