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

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https://zenodo.org/record/3660713

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资源简介：

CH3I wavefn test run, orb 29 ioinzation (sigma bonding, A1), 1 - 60 eV - photoionization calculations with ePolyScat (ePS) + ePSproc.*Web version*: https://phockett.github.io/ePSdata/CH3I_1-60eV/CH3I_1-60eV_orb29_A1.htmlFor more details of the calculations, see readme.txt, or: About ePSdata About ePSproc About ePS

创建时间：

2020-02-12