Fig. 5. DFT (CAM-B3LYP/6-31G(d))-calculated frontier orbitals for 5M. Hydrogen atoms are omitted for clarity. Surface isovalue: ± 0.03 [ea0–3]1/2.
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.