| (UV)RR | (Ultra–Violet) Resonance Raman |
| NBO | Natural Bond Orbitals |
| FQ | Fluctuating Charges |
| PES | Potential Energy Surface |
| MO | Molecular Orbital |
| CMO | Canonical Molecular Orbital |
| RREP | Resonance Raman Excitation Profile |
| QM | Quantum Mechanics |
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