| Acronym | Meaning |
| BMCD | Biological Macromolecule Crystallization Database |
| RMSECV | Root-mean-square Error Of Cross-validation |
| RQCISD | (spin) Restricted QCISD |
| GQDPT | Generalized Quasidegenerate Perturbation Theory |
| USCM | Unified Solvation Cavity Model |
| LEEIXS | Low Energy Electron Induced X-ray Spectrometry |
| OEH | One-electron Hamiltonian (quantum Method) |
| SU | Standard Unit |
| CT | Charge Transfer |
| NET | Norepinephrine Transporter |