| Chapitre 3 : Orbital Interaction Theory |
Page |
| Relationship to Hartree-Fock Equations |
34 |
| Hückel Approximation |
34 |
| Case Study of a Two-Orbital Interaction |
35 |
| Effect of Overlap |
44 |
| Energetic Effect of Overlap |
44 |
| Orbital Effect of Overlap |
44 |
| First Look at Bonding |
45 |
| Relationship to Perturbation Theory |
45 |
| Generalizations for Intermolecular Interactions |
46 |
| Energy and Charge Distribution Changes from Orbital Interaction |
47 |
| Interactions between Molecules: Many Electrons, Many Orbitals |
52 |
| Electrostatic Effects |
55 |
| Group Orbitals |
56 |
| Assumptions for Application of Qualitative MO Theory |
61 |
| Example: Carbonyl Group |
62 |
| Construction of Interaction Diagram |
62 |
| Interpretation of Interaction Diagram |
65 |
| Chemical Reactivity |
66 |
| Why Does It Work and When Might it Not? |
69 |