| Chemical Concepts and Experimental Techniques | |
| Chemical Bonds: Types and Strengths | p. 1 |
| Single, Double, and Triple Bond Formation via Octet Rule | p. 1 |
| Bond Dissociation | p. 4 |
| Ionization Potential and Electron Affinity | p. 5 |
| The Concept of Electronegativity | p. 9 |
| Dipole Moments and Electronegativity | p. 13 |
| Bond Type and Length: Associated Force Constants | p. 13 |
| Some Important Experimental Methods | p. 15 |
| The Nature of Bonding in Diatoms | |
| Valence Bond and Molecular Orbital Methods | p. 37 |
| Nature of Wave Functions for [actual symbol not reproducible] and H[subscript 2] | p. 37 |
| The LCAO Approximation to Ground States of [actual symbol not reproducible] and H[subscript 2] | p. 39 |
| Valence Bond Theory of the H[subscript 2] Molecule | p. 46 |
| Comparison of Valence Bond and Molecular Orbital Theories for H[subscript 2] | p. 49 |
| Chemical Bonding, Molecular Orbital Energy Levels, and Correlation Diagrams for Homonuclear Diatoms | p. 52 |
| Heteronuclear Diatomic Molecules | p. 60 |
| Molecular Interactions | |
| Long-Range Forces | p. 69 |
| Short-Range Forces | p. 76 |
| Short-Range Energies and Quantum-Chemical Studies | p. 80 |
| The Hydrogen Bond | p. 82 |
| The Relation to Experimental Studies | p. 85 |
| Electron Density Description of Molecules | |
| Approximate Electron Density-Potential Relation | p. 101 |
| Energy Relations in Molecules at Equilibrium | p. 103 |
| Can the Total Energy of a Molecule Be Related to the Sum of Orbital Energies? | p. 106 |
| Foundations of Walsh's Rules for Molecular Shape | p. 108 |
| Self-Consistent Field Treatment for Diatomic Molecules and the Roothaan-Hall Formulation | p. 110 |
| Roothaan's Approach Compared with the Electron Density Description | p. 112 |
| Chemical Potential in Relation to Electronegativity | p. 115 |
| Molecular Parameters Determined by Spectroscopic Methods | |
| Rotational Spectroscopy | p. 123 |
| Centrifugal Distortion | p. 132 |
| Vibrational Spectroscopy of Diatomic Molecules: Harmonic Approximation | p. 133 |
| Anharmonicity | p. 134 |
| Vibrational Selection Rules | p. 135 |
| Vibration-Rotation Spectrum | p. 136 |
| Electronic Spectroscopy | p. 138 |
| Excited-State Potential Energy Curves | p. 142 |
| Determination of Ionization Potentials of Polyatomic Molecules | p. 145 |
| Nuclear Magnetic Resonance Spectra | p. 147 |
| Electron Spin Resonance and [pi]-Electron Densities: Hyperfine Structure | p. 154 |
| Molecular Orbital Methods and Polyatomic Molecules | |
| Directed Bonds: Conformation of H[subscript 2]O and NH[subscript 3] | p. 161 |
| Bent Molecules: Walsh Diagrams and Rules | p. 162 |
| UPS of AH[subscript 3] Molecules | p. 166 |
| The Need for Hybrid Orbitals | p. 168 |
| Some Carbon Compounds with sp[superscript n] Hybridization (n = 1, 2, 3) | p. 173 |
| Molecular Orbital Theory of [pi]-Electron Systems | p. 175 |
| Determination of Molecular Orbitals and LCAO Coefficients | p. 195 |
| Molecular Indexes | p. 197 |
| Some Quantum-Mechanical and Semiempirical Methods Applied to Polyatomic Molecules | p. 202 |
| Molecular Orbitals in Acetylene and the (e, 2e) Experiment | p. 207 |
| Slater-Kohn-Sham One-Electron Equations | p. 211 |
| Renner-Teller Effect | p. 211 |
| Chemical Reactions, Dynamics, and Laser Spectroscopy | |
| Rates of Chemical Reactions: Absolute Rate Theory | p. 227 |
| The Woodward-Hoffmann Rules | p. 236 |
| Localization Energy and the Rate of Reaction for Aromatic Hydrocarbons | p. 246 |
| Oxidation-Reduction and Orbital Energies of Hydrocarbons | p. 247 |
| Laser Spectroscopy and Chemical Dynamics | p. 248 |
| Electron Density Theory and Chemical Reactivity | p. 252 |
| Other Studies in Chemical Kinetics | p. 254 |
| App. A1.1. Wave Functions for the Hydrogen Atom | p. 261 |
| App. A2.1. Variation Principle | p. 276 |
| App. A3.1. Topics Relevant to the Treatment of Intermolecular Forces | p. 289 |
| App. A4.1. The Correspondence between Cells in Phase Space and Quantum-Mechanical Energy Levels | p. 290 |
| App. A5.1. Rotational Energy Levels of Some Simple Classes of Molecules: The Symmetric Rotor | p. 326 |
| App. A6.1. The Jahn-Teller Effect | p. 350 |
| App. A7.1. Symmetry Arguments for Electrocyclic Reactions | p. 353 |
| Advanced Problems | p. 360 |
| Index | p. 389 |
| Table of Contents provided by Blackwell. All Rights Reserved. |
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