| Acronym | Meaning |
| CDFT | Chemical-density-functional Theory |
| MLRA | Multiple Linear Regression Analysis |
| ACD | Available Chemicals Directory |
| CWTM | Compound Weaire-Thorpe Model (in Electronic-structure Calcns.) |
| DCFT | Direct Coal-fired Turbine |
| MEPSAG | Minimum Energy Path Semiclassical Adiabatic Ground-state (tunneling Approxn.) |
| WWT | Wastewater Treatment |
| LHDC | Lube Hydrocracking Distillate Catalyst |
| SIOS | Semiclassical Infinite-order Sudden (in Rotationally-inelastic Scattering Calcns.) |
| HCWP | Hard Corrugated Wall Potential |