Discovering Chemistry With Natural Bond Orbitals 1st Edition by Frank Weinhold, Clark R Landis ISBN 1118119967 9781118119969

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Product details:

ISBN 10: 1118119967 
ISBN 13: 9781118119969
Author: Frank Weinhold, Clark R Landis

This book explores chemical bonds, their intrinsic energies, and the corresponding dissociation energies which are relevant in reactivity problems. It offers the first book on conceptual quantum chemistry, a key area for understanding chemical principles and predicting chemical properties. It presents NBO mathematical algorithms embedded in a well-tested and widely used computer program (currently, NBO 5.9). While encouraging a “look under the hood” (Appendix A), this book mainly enables students to gain proficiency in using the NBO program to re-express complex wavefunctions in terms of intuitive chemical concepts and orbital imagery.

Discovering Chemistry With Natural Bond Orbitals 1st Table of contents:

• CHAPTER 1: Getting Started
• CHAPTER 2: Electrons in Atoms
• CHAPTER 3: Atoms in Molecules
• CHAPTER 4: Hybrids and Bonds in Molecules
• CHAPTER 5: Resonance Delocalization Corrections
• CHAPTER 6: Steric and Electrostatic Effects
• CHAPTER 7: Nuclear and Electronic Spin Effects
• CHAPTER 8: Coordination and Hyperbonding
• CHAPTER 9: Intermolecular Interactions
• CHAPTER 10: Transition State Species and Chemical Reactions
• CHAPTER 11: Excited State Chemistry

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Frank Weinhold,Clark R Landis,Chemistry,Natural Bond,Orbitals