Discovering chemistry with natural bond orbitals / Frank Weinhold, Clark R. Landis.

• Author: ProQuest (Firm); Weinhold, Frank, 1941-
• TeilnehmendeR: Landis, Clark R., 1956-; ProQuest (Firm)
• Year of Publication: 2012
• Language: English
• Physical Description: xii, 319 p., [16] p. of plates :; ill. (some col.)
• Notes: Includes index.

"This book is about chemical bonds, their intrinsic energies and the corresponding dissociation energies which are relevant in reactivity problems; it is the first book to detail relatively uncomplicated but physically meaningful approaches to molecular properties, an area important to help understand chemical principles and predict chemical properties. The primary goal of this book is to enable students to gain proficiency in using the NBO program to re-express complex many-electron wavefunctions in terms of intuitive chemical concepts and orbital imagery, with minimal distractions from underlying mathematical or programming details"-- Provided by publisher.

Table of Contents

1. Getting started -- 2. Electrons in atoms -- 3. Atoms in molecules -- 4. Hybrids and bonds in molecules -- 5. Resonance delocalization corrections -- 6. Steric and electrostatic effects -- 7. Nuclear and electronic spin effects -- 8. Coordination and hyperbonding -- 9. Intermolecular interactions -- 10. Transition state species and chemical reactions -- 11. Excited state chemistry.