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  "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:  DABCO 1st attempt\n\n- *electronic structure input*: DABCO_Jmol_E_cc-pVDZ_D3h_manual-third_c.molden\n- *ePS output file*: DABCO_1-50.0eV_orb30_A2PP.inp.out\n- *Web version*: https://phockett.github.io/ePSdata/DABCO/DABCO_1-50.0eV_orb30_A2PP.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 DABCO, batch DABCO_1-50.0eV, orbital orb30_A2PP\n-  DABCO 1st attempt, HOMO-1 ioinzation (A2PP), D3h symmetry set correctly\n-  E=1:1:50.0 (50 points)\n-  Fri Feb 24 10:01:30 EST 2017",
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      "description": "DABCO, HOMO-1 ionization (orb 30, A2PP), 1 - 50eV - photoionization calculations with ePolyScat (ePS) + ePSproc.<br><br>*Web version*: <a href=\"https://phockett.github.io/ePSdata/DABCO/DABCO_1-50.0eV_orb30_A2PP.html\">https://phockett.github.io/ePSdata/DABCO/DABCO_1-50.0eV_orb30_A2PP.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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      "publication_date": "2020-01-28",
      "title": "ePSproc: DABCO, HOMO-1 ionization (orb 30, A2PP), 1 - 50eV",
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    "modified": "2020-01-28T17:45:38.829616+00:00",
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    "title": "ePSproc: DABCO, HOMO-1 ionization (orb 30, A2PP), 1 - 50eV"
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