Published February 9, 2020
| Version v1
Dataset
Open
ePSproc: CH3I wavefn test run, orb 29 ioinzation (sigma bonding, A1), 1 - 60 eV
Description
CH3I wavefn test run, orb 29 ioinzation (sigma bonding, A1), 1 - 60 eV - photoionization calculations with ePolyScat (ePS) + ePSproc.
*Web version*: https://phockett.github.io/ePSdata/CH3I_1-60eV/CH3I_1-60eV_orb29_A1.html
For more details of the calculations, see readme.txt, or:
Files
CH3I_1-60eV_orb29_A1.ipynb
Files
(85.4 MB)
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