| Å | Armstrong |
| ACC | Available chlorine concentration |
| AFB1 | Aflatoxin B1 |
| clog P | Logarithm of partition constant octane/water |
| Δex | Experimental chemical shift |
| DFT | Density Functional Theory |
| DL | Drug likeness |
| DS | Drug score |
| δT | Theoretical chemical shift |
| eV | Electron volt |
| GIAO | Gauge-invariant-atomic orbital |
| 1HNMR | Hydrogen nuclear magnetic resonance |
| HOMO | Highest occupied molecular orbital |
| Hz | Hertz |
| IRC | Intrinsic reaction coordinates |
| J3 | Three bond coupling constant |
| log S | Logarithm of solubility |
| log P | Logarithm of its partition coefficient between n-octanol and water |
| LUMO | Lowest unoccupied molecular orbital |
| NBO | Natural bond orbital |
| NPA | Natural population analysis |
| NEW | Neutral electrolyzed water |
| ORP | Oxidation-reduction potential |
| PCM | Polarizable continuum model |
| Ppm | Parts per million |
| SCRF | Self-consistent reaction field |
| TS | Transition or Activated state |
| ZPE | Zero point correction to the electronic energy |
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