| |
Species |
Density of States |
Contribution |
| HOMO |
Total DOS |
5.305992742 |
100.0% |
| Carbon on Aromatic Rings |
1.871260169 |
35.3% |
| Carbon on Branch Chains |
0.494775649 |
9.3% |
| Hydrogen |
0.538295976 |
10.1% |
| Nitrogen |
0.300554750 |
5.7% |
| Oxygen |
1.221896138 |
23.0% |
| Sulfur |
0.879210756 |
16.6% |
| LUMO |
Total DOS |
5.106132606 |
100.0% |
| Carbon on Aromatic Rings |
1.823673121 |
35.7% |
| Carbon on Branch Chains |
0.481530638 |
9.4% |
| Hydrogen |
0.534263033 |
10.5% |
| Nitrogen |
0.275643056 |
5.4% |
| Oxygen |
1.177728855 |
23.1% |
| Sulfur |
0.813293933 |
15.9% |
|
