Prev Up Next 

Keyword category:

Solvation: COSMO, Solvation: AMSOL

EPS

EPS — Specify the dielectric constant for desired solvent. (Equivalent to DIELEC)

Usage

EPS=n.n

Description

EPS specifies a solvent's dielectric constant and is equivalent to DIELEC. See keyword DIELEC for details.

Abbreviation:

none

Requires:

SM5.2, SM5.2R, SM5C, or SM5CR and SOLVNT=GENORG; or COSMO.

Required by:

none

Default value:

78.355 (for water) with COSMO

See also:

COSMO, DIELEC.
Prev  Up  Next
ENPART  Home  ESP

Copyright © 1994, 1997, 2004, Semichem, Inc. All rights reserved.