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.

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.
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