Table 6. The results of the quantum chemical calculation for PBT.
| Inhibitor | E HOMO/eV | E LUMO/eV | ΔE /eV | I/eV | A/eV | γ/eV | χ/eV | ΔN |
|---|---|---|---|---|---|---|---|---|
| PBT | −5.4985 | 0.0201 | 5.5186 | 5.4985 | −0.0201 | 2.7392 | 2.7593 | 0.7741 |
Official websites use .gov
A
.gov website belongs to an official
government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you've safely
connected to the .gov website. Share sensitive
information only on official, secure websites.