ePSproc: DABCO wavefn run, HOMO ioinzation (orb 31 A1P), 0.01 - 5.01eV high res

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https://zenodo.org/record/3629714

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资源简介：

DABCO wavefn run, HOMO ioinzation (orb 31 A1P), 0.01 - 5.01eV high res - photoionization calculations with ePolyScat (ePS) + ePSproc. *Web version*: https://phockett.github.io/ePSdata/DABCO/DABCO_0.01-5.01eV_orb31_A1P.html For more details of the calculations, see readme.txt, or: About ePSdata About ePSproc About ePS

创建时间：

2020-01-29