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.
Optimized structure and the ESP surfaces of non-charged 6 and 7 and protonated analogs 6+ and 72+ calculated for ground state by using DFT at the B3LYP/6-31G(d) level. Created in Avogadro Software founded on Gaussian 09 calculations. The positive and negative ESP regions are colored blue and red, respectively.
