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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
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