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.
Cheletropic extrusion with pyridotriazole 2. Computed reaction profile with relative free energies (ΔG, computed at 298.15 K and 1 M) and bond distances in kcal/mol and Å, respectively. All data are computed at the SMD-B3LYP-D3/def2-SVP level.