Fig. 5. Frontier Kohn–Sham orbital diagram for (cat)Ni(bpytBu2) (1), (ap)Ni(bpytBu2) (2), and (apPh)Ni(bpytBu2) (3) as determined by DFT computations at the TPSS/TZVP level of theory.
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.