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ePSproc: CH3I wavefn test run, orb 29 ioinzation (sigma bonding, A1), 1 - 60 eV

CH3I wavefn test run, orb 29 ioinzation (sigma bonding, A1), 1 - 60 eV - photoionization calculations with ePolyScat (ePS) + ePSproc.<br><br>*Web version*: <a href="https://phockett.github.io/ePSdata/CH3I_1-60eV/CH3I_1-60eV_orb29_A1.html">https://phockett.github.io/ePSdata/CH3I_1-60eV/CH3I_1-60eV_orb29_A1.html</a><br><br>For more details of the calculations, see readme.txt, or: <ul><li><a href="https://phockett.github.io/ePSdata/about.html">About ePSdata</a></li><li><a href="http://epsproc.readthedocs.io/en/latest/about.html">About ePSproc</a></li><li><a href="http://www.chem.tamu.edu/rgroup/lucchese/ePolyScat.E3.manual/manual.html">About ePS</a></li></ul>

ShareScore

40/100

Overall dataset sharing score

Score breakdown

These five areas show where the dataset supports — or may limit — practical reuse.

Stewardship
8
Harmonization
4
Access
20
Reuse readiness
8
Engagement
0

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