Published February 9, 2020 | Version v1
Dataset Open

ePSproc: CH3I wavefn test run, orb 30 ioinzation (pi anti-bonding), 1 - 60 eV

  • 1. National Research Council of Canada

Description

CH3I wavefn test run, orb 30 ioinzation (pi anti-bonding), 1 - 60 eV - photoionization calculations with ePolyScat (ePS) + ePSproc.

*Web version*: https://phockett.github.io/ePSdata/CH3I_1-60eV/CH3I_1-60eV_orb30_E.html

For more details of the calculations, see readme.txt, or:

Files

CH3I_1-60eV_orb30_E.ipynb

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