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.
S–S bond length (Å, yellow), T1 energy (eV, dark blue), and the RMSD (Å, teal) of the LVC-optimized T1 geometry as a function of the number of neglected normal modes. Values for the full-dimensional geometry optimization at the B3LYP/6-311G(d)-LANL2DZ level of theory are shown in dashed lines.
