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.
Substituent effect on the relaxation of ASRAT. A. CASSCF and CASPT2 energy profiles (top panel) and evolution of CASSCF charge on the Schiff base side (bottom panel) of the Me-ASRAT. B. Same data for ASRAT. C. Same data for CF3-ASRAT. S0, S1 and S2 PESs are shown in blue, green and red colors respectively. The profiles shown in the bottom panels are the positive charge on the displayed molecular fragment.
