Subject: MOPAC7-Source Code & Arsen Parameter Set?

From: "Peter Happersberger" <[email-masked]>
Date: Mon, 28 Oct 1996 18:38:28 +0100

Hi everybody,

I'd like to do some semiempirical chemical calculations of
trivalent Organoarsenicals. I'm only know MOPAC 7 which contain
parameters of arsen (PM3).

So, I'm looking for
1.  the source code of MOPAC7 (LINUX), because I want to
    calculate molecules greater than 60 atoms.

2.  other programms (molecular mechanics, semiempirical)
    with the ability of calculating As-C, As-O ans As-S bonds.

Thanks in advances.
    I will summary the replies if interested.

    Peter Happersberger

---------------------------------------------
Peter Happersberger
[email-masked]
University of Konstanz
Fac.Chem
----------------------------------------------

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From: "Dr. Bruno Manunza" <[email-masked]>
Date: Mon, 28 Oct 1996 21:50:59 +0100 (NFT)

>     calculate molecules greater than 60 atoms.

try:

gopher://www.ccl.net:73/11/software/SOURCES/FORTRAN/mopac7_sources
or ftp to:
www.ccl.net
and cd to pub/chemistry/software/SOURCES/FORTRAN
B
>     with the ability of calculating As-C, As-O ans As-S bonds.
check these pages:
http://latina.chem.cinvestav.mx/RLQ/mecanica_molecular.html
http://tutor.oc.chemie.th-darmstadt.de/TZ/AKLindner/pimm_e.html

regards
Bruno

Dr Bruno Manunza
DISAABA (Dept. of Agricultural Environm. Sci)
University of Sassari
V.le Italia 39
07100 Sassari, ITALY
phone: 39 79 229215
fax:   39 79 229276

e-mail: [email-masked]
e-mail: [email-masked]
e-mail: [email-masked]