Reference clarification on SAM1
E. M. EVLETH
Dynamique des Interactions Moleculaires
Universite Pierre et Marie Curie
4 Place Jussieu, Tour 22, Paris 75005
33-1-44-27-42-08 (work), 33 = France; 1 = Paris
FAX 33-1-44-27-41-17 (lab);44-27-38-66(University)
e-mail UDIM018 at FRORS31.BITNET
Andy Holder referenced a thesis by James Ruiz U. of Austin, 1990.
Dissertation Abstracts Int. Vol 50 p4019B (1990) gives an abstract
of the thesis dated 1989. This thesis abstract does not specifically
mention "SAM1", it does cite AM1 and alludes to a new method as
applied to hydrocarbons. This thesis is available under order number
DA9005659 from the service (usually a microprinted edition) phone in
orders through 800-343-5299, ext 781 (Canada); 800-521-3042 (USA). One
convenience DA Service takes credit cards, which avoids having to pay
outrageous bank charges to secure checks payable in $ outside the USA.
In my priprint copy of the paper by Dewar, Jie, and Yu (kindly sent to
me by Andy Holder, the published Tetrahedron article has not yet arrived
in Paris) there are no tables of SAM1 parameters for the C,H,N,O atoms.
one suspects that these two above literature sources are insufficient to
permit the independent investigator to reproduce SAM1 calculations.
Personally, we run AMPAC 4.5 so my ox is not gored. It is a good
program and worth the money. Many who do semiempirical calculations
accept they are voo-doo quantum mechanics and one has to go to the right
witchdoctor. I still cry a little for my 3rd world colleagues in not
being able to join the club.