| CPCM | Conductor-like Polarizable Continuum Model |
| DFT | Density Functional Theory |
| DNA | Deoxyribonucleic Acid |
| HOMO | Highest Occupied Molecular Orbital |
| IEF | Integral Equation Formalism |
| IRC | Intrinsic Reaction Coordinate |
| P | Product |
| PC | Product Complex |
| PES | Potential Energy Surface |
| PCM | Polarizable Continuum Model |
| R | Reactant |
| RC | Reactant Complex |
| RNA | Ribonucleic Acid |
| TS | Transition State |
| TST | Transition State Theory |