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.
Calculated energies for the gold-catalyzed cis–trans isomerization and NPA charges of TScXb-t-Xb (hydrogen atoms are omitted for clarity). Computational details are identical with those in Figure 1. Energies are given in kcal mol–1. For the full PES see the Supporting Information.
