Pauling's Legacy :Modern Modelling of the Chemical Bond ( Volume 6 )

Publication subTitle :Modern Modelling of the Chemical Bond

Publication series :Volume 6

Author: Maksic   Z. B.;Orville-Thomas   W. J.  

Publisher: Elsevier Science‎

Publication year: 1999

E-ISBN: 9780080538525

P-ISBN(Paperback): 9780444825087

P-ISBN(Hardback):  9780444825087

Subject: O641.1 chemical bonding theories

Language: ENG

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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

Front Cover

pp.:  1 – 4

Copyright Page

pp.:  5 – 8

Table of Contents

pp.:  8 – 20

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

Index

pp.:  778 – 784

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