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  "elecStructure": "/mnt/Store/epsmanTests/ABCO/electronic_structure/ABCO_E_cc-pVDZ_C3v.molden",
  "jobText": "  [![Creative Commons Attribution-NonCommercial-ShareAlike 4.0 (CC BY-NC-SA 4.0)](https://i.creativecommons.org/l/by-nc-sa/4.0/88x31.png)](https://creativecommons.org/licenses/by-nc-sa/4.0/)\n\n# ePSproc:  ABCO 1st attempt\n\n- *electronic structure input*: ABCO_E_cc-pVDZ_C3v.molden\n- *ePS output file*: ABCO_1-50eV_orb31_A1.inp.out\n- *Web version*: https://phockett.github.io/ePSdata/ABCO/ABCO_1-50eV_orb31_A1.html\n- Dataset: \n- DOI (dataset): [None](http://dx.doi.org/None)\n- Licensed under [Creative Commons Attribution-NonCommercial-ShareAlike 4.0 (CC BY-NC-SA 4.0)](https://creativecommons.org/licenses/by-nc-sa/4.0/)\n- [Citation details](#Cite-this-dataset)\n\n## Job details\n\n-  ePS ABCO, batch ABCO_1-50eV, orbital orb31_A1\n-  ABCO 1st attempt, HOMO ioinzation (A1)\n-  E=1:1:50 (50 points)\n-  Thu Mar  2 19:15:31 EST 2017",
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      "description": "ABCO 1st attempt, HOMO ioinzation (A1), orb 31 - photoionization calculations with ePolyScat (ePS) + ePSproc.<br><br>*Web version*: <a href=\"https://phockett.github.io/ePSdata/ABCO/ABCO_1-50eV_orb31_A1.html\">https://phockett.github.io/ePSdata/ABCO/ABCO_1-50eV_orb31_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>",
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      "keywords": [
        "Data",
        "Photoionization",
        "Scattering calculation"
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      "title": "ePSproc: ABCO 1st attempt, HOMO ioinzation (A1), orb 31",
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    "title": "ePSproc: ABCO 1st attempt, HOMO ioinzation (A1), orb 31"
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