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.
TD-DFT difference dipole vectors (|μt–μ0|, black arrows) based upon the Anderson (A) and Jung (B) CAM-B3LYP/6-31G(d,p) structures with D3BJ correction, for the lowest local excited state (LE) or the Tyr-FMN charge transfer (CT) state. Lengths of vectors are arbitrary, for actual size refer to Table 5. Gln63 permanent ground state dipole moment shown as well (green arrows).
