Published January 28, 2020
| Version v1
Dataset
Open
ePSproc: DABCO wavefn run, HOMO ioinzation (orb 31 A1P), 0.01 - 5.01eV high res
Description
DABCO wavefn run, HOMO ioinzation (orb 31 A1P), 0.01 - 5.01eV high res - photoionization calculations with ePolyScat (ePS) + ePSproc.
*Web version*: https://phockett.github.io/ePSdata/DABCO/DABCO_0.01-5.01eV_orb31_A1P.html
For more details of the calculations, see readme.txt, or:
Files
DABCO_0.01-5.01eV_orb31_A1P.ipynb
Files
(84.8 MB)
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