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Aromaticity indices for the most aromatic pathway of porphyrins calculated at the CAM‐B3LYP/6‐31G* level of theory.
|
Species |
FLU |
HOMA |
AV1245 |
|AVmin| |
ACID |
|---|---|---|---|---|---|
|
c‐P6 |
0.007 |
0.927 |
1.64 |
0.57 |
A |
|
c‐P64+ |
0.016 |
0.784 |
1.45 |
0.32 |
A |
|
c‐P66+ |
0.017 |
0.760 |
1.33 |
0.24 |
NA |
|
c‐P612+ |
0.027 |
0.426 |
0.63 |
0.04 |
NA/AA |
|
porphin |
0.006 |
0.968 |
2.16 |
1.28 |
A |
