Quantum Chemistry

  1. Advanced Topics and Applications
    1. Chemical Reactivity
      1. Potential Energy Surfaces
        1. Reaction Coordinates
          1. Transition States
            1. Reaction Pathways
            2. Transition State Theory
              1. Activated Complex
                1. Rate Constants
                  1. Activation Parameters
                  2. Frontier Molecular Orbital Theory
                    1. HOMO-LUMO Interactions
                      1. Nucleophilic and Electrophilic Reactivity
                        1. Regioselectivity
                        2. Woodward-Hoffmann Rules
                          1. Orbital Symmetry Conservation
                            1. Pericyclic Reactions
                              1. Allowed and Forbidden Processes
                            2. Intermolecular Interactions
                              1. Electrostatic Interactions
                                1. Charge-Charge Interactions
                                  1. Charge-Dipole Interactions
                                    1. Dipole-Dipole Interactions
                                    2. Induction Effects
                                      1. Polarizability
                                        1. Induced Dipole Interactions
                                        2. Dispersion Forces
                                          1. London Forces
                                            1. van der Waals Interactions
                                              1. Correlation Effects
                                              2. Hydrogen Bonding
                                                1. Geometric Criteria
                                                  1. Strength and Directionality
                                                    1. Cooperative Effects
                                                  2. Relativistic Effects
                                                    1. Relativistic Corrections
                                                      1. Scalar Relativistic Effects
                                                        1. Spin-Orbit Coupling
                                                          1. Heavy Element Chemistry
                                                          2. Dirac Equation
                                                            1. Four-Component Formalism
                                                              1. Two-Component Approximations
                                                              2. Relativistic Basis Sets
                                                                1. All-Electron Methods
                                                                  1. Effective Core Potentials
                                                                2. Quantum Dynamics
                                                                  1. Time-Dependent Phenomena
                                                                    1. Wavepacket Dynamics
                                                                      1. Coherent Control
                                                                        1. Ultrafast Processes
                                                                        2. Nonadiabatic Processes
                                                                          1. Conical Intersections
                                                                            1. Surface Hopping
                                                                              1. Photochemistry
                                                                              2. Semiclassical Methods
                                                                                1. Classical Trajectories
                                                                                  1. Mixed Quantum-Classical Dynamics

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                                                                              9. Spectroscopy and Molecular Properties

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                                                                              1. Introduction to Quantum Chemistry