Description
The file contains the data supporting the results of the manuscript: S. B. Muvva, Y. Liu, P. Chakraborty, J. P. Figueira Nunes, A. R. Attar, S. Bhattacharyya, K. Borne, E. G. Champenois, N. Goff, et al., “Ultrafast structural dynamics of UV photoexcited cis,cis-1,3-cyclooctadiene observed with time-resolved electron diffraction,” Physical Chemistry Chemical Physics (The Royal Society of Chemistry, 2024).
The experiment and simulated real-space diffraction signals dataset are stored in 'dPDF_exp_sim.mat'.
Stationary (static) ground state diffraction signals are stored in 'static_data.mat'.
Carbon distances of the static structure are stored in 'static_COD_Carbon_distances.mat'.
Ring stretch parameter data is stored in 'ring_stretch_parameter.mat'.
The coordinates of the representative structures of the predicted photoproducts and the predicted COD structures at different time delays, showing ring stretching motion, are also provided.
The experiment and simulated real-space diffraction signals dataset are stored in 'dPDF_exp_sim.mat'.
Stationary (static) ground state diffraction signals are stored in 'static_data.mat'.
Carbon distances of the static structure are stored in 'static_COD_Carbon_distances.mat'.
Ring stretch parameter data is stored in 'ring_stretch_parameter.mat'.
The coordinates of the representative structures of the predicted photoproducts and the predicted COD structures at different time delays, showing ring stretching motion, are also provided.
| Date made available | 11 Jul 2024 |
|---|---|
| Publisher | Zenodo |