DOI: 10.14469/hpc/14406 Metadata
Created: 2024-07-07 06:16
Last modified: 2024-11-25 09:40
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
null
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| TS3+NH4-2-2.gjf | 2KB | chemical/x-gaussian-input | Gaussian input file |
| TS3+NH4-2-2.log | 1MB | chemical/x-gaussian-log | Gaussian log file |
| checkpoint.fchk | 29MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| opt.cml | 5KB | chemical/x-cml | Optimised geometry |
| Rawbinaryarray.baf | 58MB | chemical/x-rawbinaryarray | Raw Binary Array File |
| TS3+NH4_rel_ener.svg | 69KB | image/svg+xml | IRC Energy response |
| TS3+NH4_DM.svg | 58KB | image/svg+xml | IRC Dipole moment response |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/14521 | Rzepa13 |