![[ICO]](/icons/blank.gif){kind=icon}
![[PARENTDIR]](/icons/back.gif){kind=icon}
![[ ]](/icons/unknown.gif){kind=icon}
![[TXT]](/icons/text.gif){kind=icon}
| Name | Last modified | Size | Description |
|---|---|---|---|---|
| Parent Directory | - | ||
| Untitled.ipynb | 2026-10-05 11:17 | 2.4K | |
| Untitled1.ipynb | 2026-10-05 11:17 | 3.8K | |
| ch3ff_sn2.ipynb | 2026-10-05 11:17 | 29K | |
| fch3f.cif | 2026-10-05 11:17 | 644 | |
| fch3f.densities | 2026-10-05 11:17 | 26K | |
| fch3f.engrad | 2026-10-05 11:17 | 850 | |
| fch3f.inp | 2026-10-05 11:17 | 455 | |
| fch3f.mmcif | 2026-10-05 11:17 | 1.1K | |
| fch3f.opt | 2026-10-05 11:17 | 26K | |
| fch3f.out | 2026-10-05 11:17 | 470K | |
| fch3f.xyz | 2026-10-05 11:17 | 440 | |
| fch3f_property.txt | 2026-10-05 11:17 | 28K | |
| fch3f_trj.xyz | 2026-10-05 11:17 | 5.6K | |
| irc.densities | 2026-10-05 11:17 | 26K | |
| irc.engrad | 2026-10-05 11:17 | 850 | |
| irc.hess | 2026-10-05 11:17 | 18K | |
| irc.inp | 2026-10-05 11:17 | 55 | |
| irc.out | 2026-10-05 11:17 | 62K | |
| irc_IRC_B.densities | 2026-10-05 11:17 | 26K | |
| irc_IRC_B.prop | 2026-10-05 11:17 | 4 | |
| irc_IRC_B.xyz | 2026-10-05 11:17 | 443 | |
| irc_IRC_B_trj.xyz | 2026-10-05 11:17 | 3.0K | |
| irc_IRC_F.densities | 2026-10-05 11:17 | 26K | |
| irc_IRC_F.prop | 2026-10-05 11:17 | 4 | |
| irc_IRC_F.xyz | 2026-10-05 11:17 | 444 | |
| irc_IRC_F_trj.xyz | 2026-10-05 11:17 | 3.0K | |
| irc_IRC_Full_trj.xyz | 2026-10-05 11:17 | 6.4K | |
| irc_property.txt | 2026-10-05 11:17 | 7.4K | |
| morgan.ipynb | 2026-10-05 11:17 | 32K | |
| prodotti.densities | 2026-10-05 11:17 | 26K | |
| prodotti.engrad | 2026-10-05 11:17 | 850 | |
| prodotti.inp | 2026-10-05 11:17 | 455 | |
| prodotti.opt | 2026-10-05 11:17 | 49K | |
| prodotti.out | 2026-10-05 11:17 | 1.1M | |
| prodotti.xyz | 2026-10-05 11:17 | 443 | |
| prodotti_property.txt | 2026-10-05 11:17 | 75K | |
| prodotti_trj.xyz | 2026-10-05 11:17 | 17K | |
| sn2.NEB.log | 2026-10-05 11:17 | 12K | |
| sn2.densities | 2026-10-05 11:17 | 26K | |
| sn2.final.interp | 2026-10-05 11:17 | 6.9K | |
| sn2.inp | 2026-10-05 11:17 | 90 | |
| sn2.interp | 2026-10-05 11:17 | 34K | |
| sn2.opt | 2026-10-05 11:17 | 12K | |
| sn2.out | 2026-10-05 11:17 | 116K | |
| sn2.prop | 2026-10-05 11:17 | 4 | |
| sn2.xyz | 2026-10-05 11:17 | 438 | |
| sn2_MEP.allxyz | 2026-10-05 11:17 | 5.9K | |
| sn2_MEP_ALL_trj.xyz | 2026-10-05 11:17 | 24K | |
| sn2_MEP_trj.xyz | 2026-10-05 11:17 | 5.9K | |
| sn2_NEB-CI_converged.xyz | 2026-10-05 11:17 | 454 | |
| sn2_NEB-TS_converged.xyz | 2026-10-05 11:17 | 438 | |
| sn2_im12.xyz | 2026-10-05 11:17 | 337 | |
| sn2_initial_path_trj.xyz | 2026-10-05 11:17 | 6.1K | |
| sn2_property.txt | 2026-10-05 11:17 | 6.9K | |
| sn2_trj.xyz | 2026-10-05 11:17 | 1.3K | |