Subject: SIBIQ - semiempirical quantum chemistry package for IBM PCs

From: <[email-masked]>
Date: Wed, 9 Feb 94 16:48:50 +0100

Dear Netters,
We want to announce the availability of SIBIQ --- the IBM-PC tool to carry out
semiempirical calculations and to build molecular structures using graphical
interface. SIBIQ supports the following semiempirical methods:
MNDO, AM1, PM3; MNDO/d and MNDOM (MNDO modified to correctly treat H-bonds).
SIBIQ makes possible: 1) optimize geometry for both open and closed shell
systems, 2) search for transition states, 3) calculate frequencies, 4) estimate
entropy, 5) study solvent interactions, 6) calculate electrostatic potentials.
It comes with the extensive library of molecular structures and
templates to build new molecules with the graphic molecular editor.
To find more about SIBIQ retrieve the file sibiq.note in the directory
/pub/chemistry/info/software-packages in CCL archives via gopher/ftp or
send a message:
    select chemistry
    get info/software-packages/sibiq.note
to [email-masked]. You can retrive demo version of SIBIQ (which is fully
functional, but limited to 17 atoms and 45 MOs) with anonymous ftp from
ocisgi7.unizh.ch, directory /pub/sibiq. You are also most welcom to contact 
us directly/

Serge Pachkovsky,
	Roschibachstrasse 68
	CH-8037 Zuerich
	Switzerland
        E-mail: [email-masked]

Russian guy from the Zurich university...