Line Plot from Scientific Research

Overlay between the DFT calculated PES contour maps for S1(orange), T2(purple) and T1(blue) states and the experimentally obtained trajectory as a function ofandcoordinates. The Figure contains axes for both theoretical and experimental values ofandto facilitate the comparison between the DFT and TRWAXS results. The energy values of each contour are computed with respect to the minimum of the ground state PES and are given in eV.

DOI