Keyword category:

Solvation: AMSOL

Description

The GAMMA=n.nn keyword specifies the macroscopic surface tension of the desired solvent for an SM5-organic calculation. The value of GAMMA should be in units of cal mol^-1 Angstrom^-2. The file solvent.data contains values of GAMMA for 178 common organic solvents. A convenient reference for gamma values is the "CRC Handbook of Chemistry and Physics", published by CRC Press. A much more complete reference is Jasper, J. J., J. Phys. Chem. Ref. Data 1 (1972) 841-1009.

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