Keyword category:

Methods

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 for a list of elements that have parameters for MNDOC, as well as for other semiempirical methods.

See also:

MINDO3, AM1, MNDO, MNDOD, PM3, SAM1, SAM1D.