Subject: Need help on using MOPAC.

From: [email-masked]
Date: Thu, 01 Sep 1994 12:06:00 -0600 (CST)

Dear netters:

I'm getting my feet wet in semiempirical calculations using MOPAC 6 and I would
like to know if there is any book (or handbook) about semiempirical
calculations using MOPAC. I want to take a look at the input and output files
so I can get a better understanding of the use of MOPAC's  keywords, how one
can determine transition sates and reaction's mechanism, how one can tell the
program that you are dealing with an aromatic system (such as benzene) not just
with an unsaturated cyclic system, etc.

All your answers will be appreciated.

Thanks a lot in advance.

Sincerely,

Guillermo A. Morales
Department of Chemistry
Louisiana State University
Baton Rouge, LA. 70803-1804

PHONE: (voice) (504) 388-2706
       (fax)   (504) 388-3458

e-mail address: [email-masked]