Published July 26, 2020
| Version v1
Dataset
Open
ePSproc: Naphthalene S1 component Orb 33 > 45 (B3u) ionization
Description
Naphthalene S1 component Orb 33 > 45 (B3u) ionization - photoionization calculations with ePolyScat (ePS) + ePSproc.
*Web version*: https://phockett.github.io/ePSdata/naphthalene/naphthalene_wf_1.0-30.1eV_orb33-45_S1.html
For more details of the calculations, see readme.txt, or:
*Web version*: https://phockett.github.io/ePSdata/naphthalene/naphthalene_wf_1.0-30.1eV_orb33-45_S1.html
For more details of the calculations, see readme.txt, or:
Files
naphthalene_wf_1.0-30.1eV_orb33-45_S1.ipynb
Files
(61.5 MB)
| Name | Size | Download all |
|---|---|---|
|
md5:f2523f46c39d2c65897af381418507e2
|
1.1 MB | Preview Download |
|
md5:2e8572e399fb6b8288e77df54276715b
|
79.2 kB | Preview Download |
|
md5:fa0fda0e7ead1363912eeb9184d60079
|
2.3 kB | Preview Download |
|
md5:af71d53511a58812b1e349e5b9e5f47c
|
60.3 MB | Preview Download |
|
md5:81344c7b1e377411b267941ff04dadf7
|
863 Bytes | Preview Download |