Name

DELSC — Specify the effective molecular radius of the desired solvent.

Synopsis

 DELSC=n.n
			

Description

DELSC is the radial distance in Angstroms between the surface accessible to the centers of solvent molecules and the surface accessible to solvent charges. By default, DELSC is the same as RSOLV but it may be explicitly set to n.n using this keyword. The allowed values are 0.1 Å ≤ DELSC ≤ RSOLV + 0.5 Å but the recommended range is 0.5 Å ≤ DELSC ≤ RSOLV. See Chapter 14, COSMO Solvation Model for more details.

Abbreviation:

none

Requires:

SM5C, SM5CR, or COSMO.

Default value:

Use value from RSOLV

See also:

COSMO