Quantum Chemistry

  1. Chemical Bonding Theory
    1. Born-Oppenheimer Approximation
      1. Nuclear-Electronic Separation
        1. Mass Ratio Considerations
          1. Adiabatic Approximation
          2. Potential Energy Surfaces
            1. Electronic Energy as Function of Nuclear Coordinates
              1. Equilibrium Geometries
                1. Reaction Pathways
              2. Valence Bond Theory
                1. Hydrogen Molecule
                  1. Heitler-London Treatment
                    1. Covalent and Ionic Structures
                      1. Bond Formation Mechanism
                      2. Hybridization
                        1. sp Hybridization
                          1. sp² Hybridization
                            1. sp³ Hybridization
                              1. Molecular Geometry
                              2. Resonance Theory
                                1. Resonance Structures
                                  1. Resonance Energy
                                    1. Delocalization
                                  2. Molecular Orbital Theory
                                    1. LCAO Approximation
                                      1. Linear Combination of Atomic Orbitals
                                        1. Bonding and Antibonding Orbitals
                                          1. Overlap Integrals
                                          2. Hydrogen Molecule Ion
                                            1. Simplest Molecular System
                                              1. MO Energy Diagram
                                                1. Bond Order
                                                2. Homonuclear Diatomic Molecules
                                                  1. First Period: H₂, He₂
                                                    1. Second Period: Li₂ through Ne₂
                                                      1. MO Energy Ordering
                                                        1. Magnetic Properties
                                                        2. Heteronuclear Diatomic Molecules
                                                          1. Energy Level Mixing
                                                            1. Polarity Effects
                                                              1. Examples: CO, NO, HF
                                                              2. Polyatomic Molecules
                                                                1. Localized vs Delocalized Bonding
                                                                  1. Walsh Diagrams
                                                                    1. Molecular Geometry Predictions
                                                                  2. Hückel Molecular Orbital Theory
                                                                    1. π-Electron Systems
                                                                      1. Conjugated Molecules
                                                                        1. Hückel Approximations
                                                                        2. Hückel Determinant
                                                                          1. Secular Equations
                                                                            1. Energy Levels
                                                                              1. Coefficients
                                                                              2. Applications
                                                                                1. Ethylene
                                                                                  1. Butadiene
                                                                                    1. Benzene
                                                                                      1. Aromaticity Rules

                                                                                  Previous

                                                                                  5. Multi-Electron Atoms

                                                                                  Go to top

                                                                                  Next

                                                                                  7. Molecular Symmetry