Subject: Re: CCL:books for theor. chem.

From: [email-masked]
Date: Wed, 30 Sep 1998 7:54:00 -0400

In response to Bernd Engels query for good books about theoretical 
chemistry:

I have used and highly recommend the book by D. Frenkel and B. Smit, 
"Understanding Molecular Simulation: from Algorithms to Applications", 
Academic Press, 1996, for people who want to write their own simulation 
codes, particularly for people who are interested in studying phase 
behavior using simulations.  It is very up-to-date and understandable.  

                                          John C. Shelley

Scientist
Corporate Research Division
The Procter & Gamble Company
Miami Valley Laboratories
Rt. 27,
11810 E. Miami River Road
Ross (Butler County), OH
45061, USA

Phone: 513-627-0078
Fax:   513-627-1233
[email-masked]