SAM1D 

Description

A special version of M.J.S. Dewar’s new SAM1 (Semi-ab initio method, Version 1) method will be used for calculation. This is identical to SAM1 above, except that it contains explicit d-functions on Cl and Br. It is somewhat slower than a regular SAM1 calculation when these elements are involved. See Chapter 3, Semiempirical Methods and Parameters for a discussion of the theoretical basis of SAM1.

See Table 3.2, “Elemental Parameter Sets for all methods (except MINDO3)” for a list of elements that have parameters for SAM1D, as well as for other semiempirical methods.

See also:

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