Computational Organic Chemistry

Offers a practical overview of the ways in which computational modeling methods and applications can be used in organic chemistry to predict the structure and reactivity of organic molecules. This book presents case studies that show how various computational methods have provided insight into the nature of organic mechanisms.

List of contents

Acknowledgements.
Preface.
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.

Report

"?sollte trotzdem jede Forschungsgruppe, die Berechnungen eigenständig durchführen will, Zugriff zu diesem Buch haben, da es eines der wenigen Bücher ist, die sehr ausführlich beschreiben, welche Methode welche Ergebnisse liefert." (Angewandte Chemie, 2008, 120)

Product details

• Authors: Steven M. Bachrach
• Publisher: Wiley, John and Sons Ltd
• Languages: English
• Product format: Hardback
• Released: 07.08.2007
• EAN: 9780471713425
• ISBN: 978-0-471-71342-5
• No. of pages: 496
• Subjects: Natural sciences, medicine, IT, technology > Chemistry > Organic chemistry; Organische Chemie