| Affine | is a geometric transformation that preserves lines and parallelism |
| BDE | bond dissociation enthalpy |
| Bd | betanidin |
| Bn | betanin |
| B3LYP | Becke, 3-parameter, Lee–Yang–Parr |
| DFT | Density Functional Theory |
| DNA | Deoxyribonucleic acid |
| DPPH | 2,2-Diphenyl-1-Picrylhydrazyl Assay |
| ETE | the electron transfer enthalpy |
| FAD | flavin adenine dinucleotid |
| FRAP | Ferric Reducing Antioxidant Power Assay |
| HAT | hydrogen atom transfer mechanism |
| HOMO | highest occupied molecular orbital |
| IC50 | The maximum mean inhibitory concentration |
| IEFPCM | Integral-Equation-Formalism Polarizable Continuum Model |
| IP | ionization potential |
| IR | infrared spectra |
| IsoBd | isobetanidin |
| IsoBn | isobetanin |
| LUMO | lowest unoccupied molecular orbital |
| MD | Molecular Dynamic |
| Mo-pt | Molybdopterin |
| NADPH | nicotinamide adenine dinucleotide dinucleotide phosphate oxidase |
| ORAC | Oxygen Radical Absorbance Capacity Assay |
| PA | proton affinity |
| PDE | proton dissociation enthalpy |
| QR | is a A = QR of an orthogonal matrix Q and an upper triangular matrix R |
| RD | Riemann distance |