The Molecular Modeling Workbook for Organic Chemistry (Full Color)
Authors: W.J. Hehre, A.J. Shusterman, J.E. Nelson
Wavefunction, Inc., Irvine, CA, 1998
ISBN 1-890661-06-6, $29.95

The Molecular Modeling Workbook for ORGANIC CHEMISTRY provides everything you need to present a modeling-intensive organic course. Intended to supplement your organic chemistry text, it comprises over 200 problems arranged in 21 chapters. Each problem uses one or more models, and students are required to look at and query these models in order to solve the problem. All models are contained on a CD-ROM that comes with the workbook, and can be viewed on a Mac or PC.

The models, over a thousand in total, are at the heart of the workbook. They provide many types of information obtained from molecular orbital calculations, including structure, energy and atomic charges. Many models also provide graphical displays of molecular orbitals, electron densities and electrostatic potential maps. Models are not restricted to stable molecules, but also include reactive intermediates, weak complexes and transition states. Some models also involve sequences of structures, allowing you to visualize conformational changes and chemical reactions.

Table of Contents:
  • How to Use Energies to Calculate Thermodynamic and Kinetic Data
  • Molecular Orbitals. Quantum Mechanics in Pictures
  • Electron Densities and the Sizes and Shapes of Molecules
  • Electrostatic Potential Maps and Molecular Charge Distributions
  • Lewis Structures and Resonance Theory
  • Conjugated Polyenes and Aromaticity
  • Acids and Bases Electrophilic and Nucleophilic Aromatic Substitution
  • Reaction Pathways and Mechanisms
  • Nitrogen-Containing Compounds
  • Stereochemistry
  • Heterocycles
  • Alkanes and Cycloalkanes
  • Biological Chemistry
  • Nucleophilic Substitution and Elimination
  • Free Radicals and Carbenes
  • Alkenes and Alkynes
  • Polymers
  • Alcohols and Ethers
  • Spectroscopy
  • Ketones and Aldehydes
  • Nucleophilic Addition
  • Mass Spectrometry
  • Carboxylic Acid Derivatives. Nucleophilic Substitution
  • Pericyclic Reactions
  • Enolates as Nucleophiles