Description
Theory and experiment in chemistry today provide a wealth of data, but such data have no meaning unless they are correctly interpreted by sound and transparent physical models. Linus Pauling was a grandmaster in the modelling of molecular properties. Indeed, many of his models have served chemistry for decades and that has been his lasting legacy for chemists all over the world.
The aim of this book is to put such simple models into the language of modern quantum chemistry, thus providing a deeper justification for many of Pauling's ideas and concepts. However, it should be stressed that many contributions to this work, written by some of the world's most prominent theoretical chemists, do not merely follow Pauling's footprints. By taking his example, they made bold leaps forward to overcome the limitations of the old models, thereby opening new scientific vistas.
This book is an important contribution to the chemical literature. It is an almost obligatory textbook for postgraduate students and postdoctoral researchers in physical chemistry, chemical physics and advanced physical organic chemistry.
Chapter
Chapter 2. Beyond the Born-Oppenheimer Approximation
pp.:
44 – 70
Chapter 3. The Mills-Nixon Effect: Fallacies, Facts and Chemical Relevance
pp.:
70 – 126
Chapter 4. Predicting Structures of Compounds in the Solid State by the Global Optimization Approach
pp.:
126 – 152
Chapter 5. Polarizability and Hyperpolarizability of Atoms and Ions
pp.:
152 – 170
Chapter 6. Molecular Polarizabilities and Magnetizabilities
pp.:
170 – 212
Chapter 7. The Concept of Electronegativity of Atoms in Molecules
pp.:
212 – 236
Chapter 8. On Hybrid Orbitals in Momentum Space
pp.:
236 – 254
Chapter 9. Theory as a Viable Partner for Experiment- The Quest for Trivalent Silylium Ions in Solution
pp.:
254 – 326
Chapter 10. Bond Energies, Enthalpies of Formation, and Homologies: The Energetics of Aliphatic and Alicyclic Hydrocarbons and some of their Derivatives
pp.:
326 – 344
Chapter 11. Stabilization and Destabilization Energies of Distorted Amides
pp.:
344 – 370
Chapter 12. Some Chemical and Structural Factors Related to the Metastabilities of Energetic Compounds
pp.:
370 – 388
Chapter 13. Valence Bond Theory: A Re-examination of Concepts and Methodology
pp.:
388 – 426
Chapter 14. Advances in Many-body Valence-bond Theory
pp.:
426 – 446
Chapter 15. Ab Initio Valence Bond Description of Diatomic Dications
pp.:
446 – 472
Chapter 16. One-electron and Three-electron Chemical Bonding, and Increased-Valence Structures
pp.:
472 – 504
Chapter 17. Valence Bond Description of π-Electron Systems
pp.:
504 – 526
Chapter 18. The Spin-coupled Description of Aromatic, Antiaromatic and Nonaromatic Systems
pp.:
526 – 542
Chapter 19. Aromaticity and Its Chemical Manifestations
pp.:
542 – 560
Chapter 20. Hypercoordinate Bonding to Main Group Elements: The Spin-coupled Point of View
pp.:
560 – 578
Chapter 21. The Electronic Structure of Transition Metal Compounds
pp.:
578 – 594
Chapter 22. Fundamental Features of Hydrogen Bonds
pp.:
594 – 616
Chapter 23. Molecular Similarity and Host-guest Interactions
pp.:
616 – 636
Chapter 24. Chemical Bonding in Proteins and Other Macromolecules
pp.:
636 – 660
Chapter 25. Models for Understanding and Predicting Protein Structure
pp.:
660 – 678
Chapter 26. Possible Sources of Error in the Computer Simulation of Protein Structures and Interactions
pp.:
678 – 688
Chapter 27. The Nature of Van der Waals Bond
pp.:
688 – 724
Chapter 28. The Nature of the Chemical Bond in Metals, Alloys, and Intermetallic Compounds According to Linus Pauling
pp.:
724 – 772
Epilogue: Linus Pauling, Quintessential Chemist
pp.:
772 – 778