An official website of the United States government
Here's how you know
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.
Relative energies of fragments calculated using Q-Chem (B3LYP-6-31+G* level). Energies for 16, 17, 18, 20 and 21 include the lost neutral radical fragment (i.e., Pr• or Bu•).