Fig. 9. DFT calculated barriers for the dissociation of the N–CS2 bond for PyrDTC–, ImDTC–, ImDTCH(NH) at the B3LYP/6–31 + g(d,p) level of theory (solvent correction performed with PCM model (water)).
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.