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Global reactivity descriptors for the BISARG intermediate melanoidin pigment and its protonated derivative BISARGd(p) calculated with the MN12SX density functional.
| Electronegativity (χ) | Chemical hardness (η) | Electrophilicity (ω) | |
|---|---|---|---|
| BISARG | 4.2253 | 2.3240 | 3.8410 |
| BISARG(p) | 4.4389 | 2.0193 | 4.8790 |
| Electrodonating Power (ω−) | Electroaccepting Power (ω+) | Net electrophilicity (Δω±) | |
| BISARG | 5.8449 | 4.4318 | 10.2767 |
| BISARG(p) | 7.1172 | 5.6637 | 12.7809 |
