| Acronym | Meaning |
 | NCWQ | National Commission On Water Quality |
| THC | Total Hydrocarbon |
| ESSP | Earth Systems Science Pathfinder |
| SASA | Solvent-accessible Surface Area |
| DOVE | Doubly Vibrationally Enhanced |
| PMO | Perturbed Morse Oscillator (model Potential) |
| SDPA | 4,4'-sulfonyldiphthalic Anhydride |
| GAMESS | General Atomic And Molecular Electronic Structure System |
| RSCF | Relativistic Self-consistent Field |
| CCSD-EH | CCSD-effective Hamiltonian |
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