| Acronym | Meaning |
| OHFS | Optimized Hartree-Fock-Slater |
| LCOAO | Linear Combination Of Orthogonal Atomic Orbitals |
| DRS | Direct Recoil Spectroscopy |
| TIC | Total Ion Current |
| WATCH | Working Group On Assessment Of Toxic Chemicals |
| RDS | Raman Difference Spectroscopy |
| DSCCR | Diffractive Sudden-closed Coupled Rotation (for Mol.-surface Scattering Calcns.) |
| SLMO | Strictly Localized Molecular Orbital |
| TC-GME | Time-convolution Generalize Master Equation (in Quantum Tunneling Calcns.) |
| MRDL | Maximum Residual Disinfectant Level |