Probing Competitive Photochemical Pathways of 2,5-Dichlorofuran via Surface Hopping Dynamics and Ultrafast Electron Diffraction

The following data set consists of all the required source files for the Surface Hopping dynamics and Ultrafast Electron Diffraction (UED) calculations presented in "Probing Competitive Photochemical Pathways of 2,5-Dichlorofuran via Surface Hopping Dynamics and Ultrafast Electron Diffraction" Included are: Initial conditions used in the dynamics simulations. Input files for all calculations. Raw data generated from dynamics simualtions and ultrafast electron diffraction (UED) calculations. Within the archive, README files are provided for more detailed information about the contents of the folder.