DOI: 10.14469/hpc/14416 Metadata
Created: 2024-07-08 17:39
Last modified: 2024-11-25 09:35
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
null
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| TS5+NH4-4-2.gjf | 2KB | chemical/x-gaussian-input | Gaussian input file |
| TS5+NH4-4-2.log | 5MB | chemical/x-gaussian-log | Gaussian log file |
| checkpoint.fchk | 26MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| opt.cml | 5KB | chemical/x-cml | Optimised geometry |
| Rawbinaryarray.baf | 50MB | chemical/x-rawbinaryarray | Raw Binary Array File |
| TS5+NH4_tot_ener.svg | 123KB | image/svg+xml | IRC Energy response |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/14521 | Rzepa13 |
Associated DOIs
| Current dataset ... | DOI | Description |
|---|---|---|
| References | 10.14469/hpc/14419 | IRC Response without NH4(+) counter ion |