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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