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| electronic parameters | hexadecanoic acid | 9,12-octadecadienoic acid | 9,12,15-octadecatrienoic acid |
|---|---|---|---|
| EHOMO | –7.5836 eV | –6.3826 eV | –6.3793 eV |
| ELUMO | –0.3633 eV | –0.3722 eV | –0.3727 eV |
| ΔELUMO–HOMO | 7.2203 eV | 6.0104 eV | 6.0066 eV |
| μ | 2.3508 | 5.7104 | 6.0384 |
| H | 3.610 | 3.005 | 3.003 |
| X | 3.973 | 3.377 | 3.376 |
| ΔN | 0.1173 | 0.2400 | 0.2404 |
