3.
Re-Ch (Ch = O, Se) π and π * NBO occupancies based on OLYP-D3/ZORA-STO-TZ2P calculations. (Note that the x direction is parallel to the direct pyrrole–pyrrole linkage.).
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.