Computational organic chemistry

Computational Organic Chemistry introduces the computational modeling methods used as standard tools by organic chemists for searching for, rationalizing, and predicting structure and reactivity of organic molecules. Topics discussed include: simple molecular properties, pericyclic reactions, carbenes and radicals, anion chemistry, solvent effects, and more.

Chapter 1. Quantum Mechanics for Organic Chemistry. Chapter 2. Fundamentals of Organic Chemistry. Chapter 3. Pericyclic Reactions. Chapter 4. Diradicals and Carbenes. Chapter 5. Organic Reactions of Anions. Chapter 6. Solution-Phase Organic Chemistry. Chapter 7. Organic Reaction Dynamics.