Name

MNDOC — The MNDOC Hamiltonian will be used.

Synopsis

 MNDOC 

Description

The MNDOC method will be used for calculation. MNDOC is only available for Li, C, H, O, and N and is usually invoked along with extensive CI.

See Table 3.2, “Elemental Parameter Sets for all methods (except MINDO3)” for a list of elements that have parameters for MNDOC, as well as for other semiempirical methods.

Abbreviation:

none

Requires:

none

Default value:

none

See also:

AM1, AM1-D3H4, AM1-FS2, MINDO3, MNDO, MNDOD, PM3, PM3-D3H4, PM6, PM6-D3H4, RM1, RM1-D3H4, SAM1, SAM1D