Research Data Leeds Repository
Data associated with “Ultrafast Photodissociation Dynamics of 2-Ethylpyrrole: Adding Insight to Experiment With Ab Initio Multiple Cloning”
Citation
Green, James and Makhov, Dmitry and Cole-Filipiak, Neil and Symonds, Christopher and Stavros, Vasilios and Shalashilin, Dmitrii (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 Engineering and Physical Sciences > School of Chemistry | ||||||
Related resources: |
|
||||||
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 | ||||||