Published March 11, 2020
| Version v1
Dataset
Open
ePSproc: Ethylene (C2H4), orb 8 (HOMO) ionization (B3u), wavefn run, 1.0:2.5:100.0
Description
Ethylene (C2H4), orb 8 (HOMO) ionization (B3u), wavefn run, 1.0:2.5:100.0 - photoionization calculations with ePolyScat (ePS) + ePSproc.
*Web version*: https://phockett.github.io/ePSdata/C2H4_1.0-100.0eV/C2H4_1.0-100.0eV_orb8_B3u.html
For more details of the calculations, see readme.txt, or:
Files
C2H4_1.0-100.0eV_orb8_B3u.ipynb
Files
(71.8 MB)
| Name | Size | Download all |
|---|---|---|
|
md5:8c76a5ff2d1d5af505ed4ca16e0aa116
|
914.8 kB | Preview Download |
|
md5:3a26c87b2bd5ae8a066bd49c9543d6f0
|
91.5 kB | Preview Download |
|
md5:52a7202208e59a5e530c0cbad3175a09
|
2.3 kB | Preview Download |
|
md5:5733df9c66ce3d3384fe0571e3432db1
|
70.8 MB | Preview Download |
|
md5:81344c7b1e377411b267941ff04dadf7
|
863 Bytes | Preview Download |