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.
a) Natural orbital (occupation number=0.745) at the MECI calculated for benzene; b) S1/S0 MECI of 9,10‐bis(N,N‐dimethylamino)anthracene and its Lewis structure. The S0/S1 MECI search was performed at the CASSCF(10e,8o)/6‐31G(d) level of theory. Adapted from ref. 22 with permission from the American Chemical Society ©2016.
