دانلود کتاب Discovering Chemistry with Natural Bond Orbitals

توضیحاتی در مورد کتاب به زبان اصلی :

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.

Content:
Chapter 1 Getting Started (pages 1–9):
Chapter 2 Electrons in Atoms (pages 10–33):
Chapter 3 Atoms in Molecules (pages 34–50):
Chapter 4 Hybrids and Bonds in Molecules (pages 51–91):
Chapter 5 Resonance Delocalization Corrections (pages 92–134):
Chapter 6 Steric and Electrostatic Effects (pages 135–154):
Chapter 7 Nuclear and Electronic Spin Effects (pages 155–175):
Chapter 8 Coordination and Hyperbonding (pages 176–208):
Chapter 9 Intermolecular Interactions (pages 209–230):
Chapter 10 Transition State Species and Chemical Reactions (pages 231–251):
Chapter 11 Excited State Chemistry (pages 252–296):