Subject: Chicago computational chemistry club

From: "Shashi Rao" <[email-masked]>
Date: Fri, 10 Mar 1995 19:38:21 -0600

March 10, 1995

Chicago Computational Chemistry Club (CCCC)

Dear CCCC participant,

Welcome to CCCC 1995.

The next seminar talk under the CCCC auspicies will be held on
Thursday, the 6th April, 1995 at the Amoco Research
Center (ARC) in Naperville, as outlined below.

Speaker :	Dr. J. T. Golab
		Amoco Research Center

Title :		"What is Chemistry Modeling?:  An Industrial Perspective"

Venue :		Amoco Research Center,
		P. O. Box 3011,
		Naperville IL 60566.

Pizza and soft drinks will be served from 6:30 - 7:30.

Please give us a call or e-mail, if you can make it (Shashi Rao: 708-982-4545,
e-mail : [email-masked] ; Joe Golab:  (e-mail : [email-masked]
(708)-961-7878). If you cannot attend, please call anyway to confirm or
change your address.

Hope to see you again soon.

Best wishes,

Shashi Rao

================================================================

The Chicago Computational Chemistry Club

Presents

Dr. J. T. Golab
Amoco Research Center

"What is Chemistry Modeling?:  An Industrial Perspective"

Thursday, the 6th April, 1995 at 7:30 p.m.

Abstract:
========

Modeling by computational methods can be a general purpose, less
expensive alternative to the traditional experimental methods of
problem solving.  Advances in software and hardware technologies
have made the use of computational chemistry techniques practical
for industrial applications.  As a result, chemistry modeling is
slowly becoming more mainstream in industrial R&D, although it is
still considered a relatively unproven information source.

In this talk, we will discuss the foundations of chemistry modeling
in regards the kinds of industrial problems it can help solve.  We
will also discuss several current examples; in particular a recent
computational survey of methane to methanol catalysis based on
compounds containing third row transition metals.  Finally, the
promise of chemistry modeling as a modern business tool will be
addressed.

Directions :
===========

To get to Amoco Research Center: From West or East bound I-88
take the Naperville Road exit and turn left (North) onto Naperville Road.
The first street light is Warrenville Road; turn left (West) onto
Warrenville.  Proceed approximately 1.5 miles to Herrick Road;
turn left (South) into the Amoco Research Center.