Research Letter
What Differs on the Enzymatic Acetylation Mechanisms for Arylamines and Arylhydrazines Substrates? A Theoretical Study
Table 1
The energies of the frontier orbitals.
| Energy/a.u. | HOMO-2 | HOMO-1 | HOMO | LUMO | LUMO+1 | LUMO+2 | |
| PABA | | | | | | | | 4-MA | | | | | | | | 4-AS | | | | | | | | 5-AS | | | | | | | | INZ | | | | | | | | HDZ | | | | | | | |
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refers to the energy difference between HOMO and LUMO.
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