Simulated Trajectories of a Furylfulgide

This dataset contains the results of nonadiabatic molecular dynamics simulations of the photorelaxation processes of two isomers, Eα and Eβ, of a prototypical furylfulgide. There are 75 simulated trajectories for the Eα isomer, and 50 for the Eβ isomer. The trajectories can be viewed with standard molecular editing software such as Jmol, GDIS, or VMD. Each trajectory is formatted as a standard .xyz file. The atomic coordinates are given in units of angstrom. The frames are written at intervals of 0.5 fs. Each trajectory lasts 500 fs.