Subject: Book on comp. chem.

From: [email-masked] (Aeleen Frisch)
Date: Tue, 13 Aug 1996 15:11:08 -0700 (PDT)

The second edition of Exploring Chemistry with Electronic Structure Methods,
by James B. Foresman and AEleen Frisch, has just been published. It is a
thoroughly revised and expanded version of the previous work (354 pages).

For this second edition, the authors have expanded the previous text and
added new material throughout the book. They have also added many new
exercises to most chapters covering advanced aspects of the current topic.
This material constitutes an advanced track through the work. Experienced
researchers may wish to examine the advanced track even in the earlier, more
elementary chapters where the basic concepts are very familiar.

New topics covered include the following:
*   Predicting NMR properties
*   New methods for geometry optimizations
*   Locating transition structures
*   Available methods, from semi-empirical through QCISD
*   Density functional theory
*   Gaussian-2 theory and variations
*   Complete Basis Set (CBS) methods
*   Relative accuracies and costs of various model chemistries
*   CASSCF calculations of excited state systems
*   New SCRF solvation models
*   SCF and DFT stability calculations

Published by Gaussian, Inc., Pittsburgh, PA, USA.
email: [email-masked]
Soft cover: $ 42.00  ISBN 0-9636769-3-8
Hard cover: $100.00  ISBN 0-9636769-4-6  [available 9/96]

Note: Previous purchasers of Gaussian 94 and G94W will be sent a
soft cover copy automatically.