Subject: New Book: A Laboratory Book of Computational Organic Chemistry

From: "Wayne Huang" <[email-masked]>
Date: Wed, 30 Oct 1996 09:18:32 -0800

At last, "A Laboratory Book of Computational Organic Chemistry" is now
available. This new title consists of 17 essays of a series topics listed
below and 2-10 experiments on each topics with total of 81 experiments in
this collection, both for introductory and upper division oragnic courses.
Here is the brief information of this title:

	"A LABORATORY BOOK OF COMPUTATIONAL ORGANIC CHEMISTRY"

	         Warren J. Hehre,  Alan J. Schusterman
	                    W. Wayne Huang

This book provides experiments in several aspects of computational organic
chemistry: Structure and Energetics, Conformation, Molecular Properties,
Reactive Molecules, Reactivity and Selectivity. Each Experiment starts with a
brief description of the chemical problem and, following that, suggests a
computational approach and provides a list of questions about the results
of computations. A series of topics with essays and lab exercises are:

- Computational Tools
- Finding Molecular Geometries
- Isodesmic Reactions
- The Role of Solvent
- Charges on Atoms in Molecules
- Interpreting Conformational Preferences
- Pi Interactions Involving Sigma Electrons
- Chemical Reactivity and Selectivity in Conformationally Mobile Molecules
- Graphical Models and Graphical Modeling
- Visualizing Molecular Orbitals
- Reactive Intermediates and The Hammond Postulate
- A Molecular Orbital Description of Substituent Effects
- Weakly Bonded and Not-So-Weakly Bonded Molecules
- Isotope Effects
- Finding Transition States
- Thermodynamic vs. Kinetic Control

ISBN 0-9643495-5-8, 301pp., Illus. 1996, $25. Wavefunction Inc. Irvine, CA.
[email-masked] or 714-955-2120

--Wayne

-- 
+---------------------------------------------------------------+
|  Wayne Huang, Ph.D.    	|  18401 Von Karman, Suite 370  | 
|  Computational Chemist 	|  Irvine, California 92612     |
|  Wavefunction, Inc.    	|  714-955-2120 <> 955-2118(fax)|  
|  [email-masked]     	|  Web: http://www.wavefun.com  |
+---------------------------------------------------------------+