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.
DFT calculation for AR: (a) the optimized molecule structure; (b) electrostatic potential (ESP); (c) HOMO; (d) LUMO; and (e) condensed Fukui index distribution for electrophilic attack (f–), radical attack (f0), and nucleophilic attack (f+).
