| ROS | Reactive Oxygen Species |
| •O2− | Superoxide anion radical |
| H2O2 | Hydrogen peroxide |
| 1O2 | Singlet oxygen |
| •OH | Hydroxyl radical |
| H2O2+ | Protonated hydrogen peroxide |
| H2O2− | Deprotonated hydrogen peroxide |
| OH− | Hydroxide ion |
| H+ | Hydrogen ion or proton |
| H2O | Water |
| HO2− | Perhydroxide ion |
| •O2H | Hydroperoxyl radical |
| e− | Electron |
| h+ | Hole |
| T | Triplet state |
| S | Singlet state |
| D | Doublet state |
| G°, E° | Standard Gibbs free energy and total energy |
| ΔG | Change in Gibbs Free Energy |
| ΔE | Change in Energy |
| ΔG0 | Standard change in Gibbs Free Energy |
| dO-O, dO-H | Bond distances between O atoms and between O and H atoms |
| νO-O, νO-H | Vibrational frequencies of O-O and O-H bonds |
| μ | Dipole moment |
| R2 | Electronic spatial extent |
| ZPE | Zero-Point Energy |
| B3LYP | Becke, 3-parameter, Lee-Yang-Parr |
| SCF | Self-Consistent Field |
| PCM | Polarizable Continuum Model |
| MP2 | Moller-Pleset 2 |