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/PBE0 calculations of the tBuTPAterpy absorption spectra for three solvents, n-hexane, chloroform and acetonitrile, together with their excitation wavelengths and oscillator strengths, respectively, in the top left, top right, and bottom left panels. The bottom right panel shows the comparison of the three simulated spectra; TD-DFT—Time-Dependent Density Functional Theory.
