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Time-resolved X-ray scattering and spectroscopy data and MD simulations reveal solvent motions coupled to intramolecular elecron transfer

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Figshare2020-12-03 更新2026-04-28 收录
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https://figshare.com/articles/dataset/Time-resolved_X-ray_scattering_and_spectroscopy_data_and_MD_simulations_reveal_solvent_motions_coupled_to_intramolecular_elecron_transfer/13322975
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资源简介:
This dataset contains:- time-resolved X-ray scattering data and Fe kbeta emission data measured at LCLS upon metal-to-metal charge-transfer transition in a bimetallic Fe-Ru complex dissolved in water- results of non-equilibrium MD simulations used to interpret the data, specifically the radial distribution functions (RDFs) and the scattering signals calculated as Fourier transform of the RDFs-scripts that can be used to plot the data and the simulationsThis dataset is link to publication: https://www.nature.com/articles/s41557-020-00629-3
创建时间:
2020-12-03
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