Quantum Chemistry

  1. Spectroscopy and Molecular Properties
    1. Rotational Spectroscopy
      1. Rigid Rotor Model
        1. Rotational Energy Levels
          1. Selection Rules
            1. Rotational Constants
            2. Non-Rigid Effects
              1. Centrifugal Distortion
                1. Vibration-Rotation Coupling
                2. Microwave Spectroscopy
                  1. Experimental Techniques
                    1. Molecular Structure Determination
                  2. Vibrational Spectroscopy
                    1. Harmonic Oscillator Model
                      1. Vibrational Energy Levels
                        1. Selection Rules
                          1. Fundamental Frequencies
                          2. Anharmonic Effects
                            1. Morse Potential
                              1. Overtones and Combination Bands
                              2. Normal Modes
                                1. Vibrational Coordinates
                                  1. Symmetry of Normal Modes
                                    1. Group Theory Applications
                                    2. Infrared and Raman Spectroscopy
                                      1. Selection Rules
                                        1. Intensity Calculations
                                          1. Polarizability Derivatives
                                        2. Electronic Spectroscopy
                                          1. Electronic Transitions
                                            1. Orbital Transitions
                                              1. Selection Rules
                                                1. Spin-Orbit Coupling Effects
                                                2. Franck-Condon Principle
                                                  1. Vertical Transitions
                                                    1. Vibrational Progressions
                                                      1. Intensity Distributions
                                                      2. UV-Visible Spectroscopy
                                                        1. Chromophores
                                                          1. Conjugated Systems
                                                            1. Solvent Effects
                                                          2. Magnetic Resonance
                                                            1. Nuclear Magnetic Resonance
                                                              1. Nuclear Spin
                                                                1. Chemical Shifts
                                                                  1. Coupling Constants
                                                                  2. Electron Paramagnetic Resonance
                                                                    1. Unpaired Electrons
                                                                      1. g-Factors
                                                                        1. Hyperfine Coupling

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                                                                    8. Computational Quantum Chemistry

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                                                                    10. Advanced Topics and Applications