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Measured Shannon aromaticity indices from AIMs analysis of all clusters studied with DFT/B3LYP method and 631-G (d) basis set.
| Clusters | Shannon aromaticity |
|---|---|
| QNOL1 | 0.00198 |
| QNOL2 | 0.00138 |
| QNOL3 | 0.00153 |
| QNOL4 | 0.00154 |
| CNOL2 | 0.00422 |
| CNOL3 | 0.00421 |
| CNOL4 | 0.00411 |
| QNAZ2 | 0.07454 |
| QNAZ3 | 0.00216 |
| QNAZ4 | 0.00221 |
| QNOX2 | 0.00188 |
| QNOX3 | 0.00188 |
| QNOX4 | 0.00192 |
N/B; Shannon aromaticity is relative.
