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Data associated with “Ultrafast Photodissociation Dynamics of 2-Ethylpyrrole: Adding Insight to Experiment With Ab Initio Multiple Cloning”

Green, James and Makhov, Dmitry and Cole-Filipiak, Neil and Symonds, Christopher and Stavros, Vasilios and Shalashilin, Dmitry (2019) Data associated with “Ultrafast Photodissociation Dynamics of 2-Ethylpyrrole: Adding Insight to Experiment With Ab Initio Multiple Cloning”. University of Leeds. [Dataset] https://doi.org/10.5518/548

Dataset description

Ab initio multiple cloning calculated and experimental total kinetic energy release spectra, dissociation times, velocity map images and electronic state populations for the ultrafast photodissociation of 2-ethylpyrrole.

Keywords: nonadiabatic dynamics, quantum dynamics simulations, computational chemistry, ultrafast, pump probe experiments
Subjects: F000 - Physical sciences > F100 - Chemistry > F170 - Physical chemistry
F000 - Physical sciences > F300 - Physics > F340 - Mathematical & theoretical physics > F342 - Quantum mechanics
F000 - Physical sciences > F300 - Physics > F340 - Mathematical & theoretical physics > F343 - Computational physics
Divisions: Faculty of Mathematics and Physical Sciences > School of Chemistry
Related resources:
LocationType
https://doi.org/10.1039/C8CP06359APublication
http://eprints.whiterose.ac.uk/140658/Publication
License: Creative Commons Attribution 4.0 International (CC BY 4.0)
Date deposited: 25 Jan 2019 13:45
URI: https://archive.researchdata.leeds.ac.uk/id/eprint/484

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