DOI: 10.14469/hpc/14415 Metadata
Created: 2024-07-08 06:23
Last modified: 2024-11-25 09:38
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
null
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| TS4a-12.gjf | 2KB | chemical/x-gaussian-input | Gaussian input file |
| TS4a-12.log | 6MB | chemical/x-gaussian-log | Gaussian log file |
| checkpoint.fchk | 20MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| opt.cml | 4KB | chemical/x-cml | Optimised geometry |
| Rawbinaryarray.baf | 41MB | chemical/x-rawbinaryarray | Raw Binary Array File |
| TS4a-Rel_ener.svg | 104KB | image/svg+xml | IRC Energy profile |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/14521 | Rzepa13 |
Associated DOIs
| Current dataset ... | DOI | Description |
|---|---|---|
| References | 10.14469/hpc/14418 | IRC with NH4(+) counter-ion |