Theoretical Chemistry

  1. Spectroscopy and Molecular Properties
    1. Theoretical Spectroscopy
      1. Time-Dependent Phenomena
        1. Time-Correlation Functions
          1. Linear Response Theory
            1. Fluctuation-Dissipation Theorem
            2. Selection Rules
              1. Electric Dipole Transitions
                1. Magnetic Dipole Transitions
                  1. Electric Quadrupole Transitions
                    1. Symmetry Considerations
                  2. Vibrational Spectroscopy
                    1. Normal Mode Analysis
                      1. Harmonic Approximation
                        1. Wilson GF Method
                          1. Symmetry Coordinates
                          2. Anharmonic Effects
                            1. Morse Potential
                              1. Cubic and Quartic Force Constants
                                1. Fermi Resonance
                                2. Infrared Spectroscopy
                                  1. Dipole Moment Derivatives
                                    1. Intensity Calculations
                                      1. Isotope Effects
                                      2. Raman Spectroscopy
                                        1. Polarizability Derivatives
                                          1. Raman Activity
                                            1. Resonance Raman
                                          2. Electronic Spectroscopy
                                            1. Electronic Transitions
                                              1. Vertical Transitions
                                                1. Adiabatic Transitions
                                                  1. Franck-Condon Principle
                                                  2. UV-Visible Spectroscopy
                                                    1. Oscillator Strengths
                                                      1. Extinction Coefficients
                                                        1. Solvent Effects
                                                        2. Fluorescence and Phosphorescence
                                                          1. Radiative Transitions
                                                            1. Non-Radiative Processes
                                                              1. Quantum Yields
                                                              2. Circular Dichroism
                                                                1. Optical Activity
                                                                  1. Cotton Effects
                                                                    1. Rotatory Strength
                                                                  2. Magnetic Resonance
                                                                    1. Nuclear Magnetic Resonance
                                                                      1. Chemical Shielding
                                                                        1. Spin-Spin Coupling
                                                                          1. Relaxation Mechanisms
                                                                          2. Electron Paramagnetic Resonance
                                                                            1. g-Tensor
                                                                              1. Hyperfine Coupling
                                                                                1. Zero-Field Splitting
                                                                              2. Molecular Properties
                                                                                1. Electric Properties
                                                                                  1. Dipole Moments
                                                                                    1. Polarizabilities
                                                                                      1. Hyperpolarizabilities
                                                                                      2. Magnetic Properties
                                                                                        1. Magnetic Susceptibility
                                                                                          1. Magnetizability
                                                                                            1. Nuclear Shielding
                                                                                            2. Optical Properties
                                                                                              1. Refractive Index
                                                                                                1. Optical Rotation
                                                                                                  1. Nonlinear Optical Properties

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                                                                                              5. Computational Chemistry Methods

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                                                                                              7. Chemical Bonding and Reactivity