DOI: 10.14469/hpc/14431 Metadata
Created: 2024-07-11 09:53
Last modified: 2024-11-25 08:51
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Null
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| Reactant.gjf | 2KB | chemical/x-gaussian-input | Gaussian input file |
| Reactant.log | 346KB | 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 |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/14521 | Rzepa13 |
Associated DOIs
| Current dataset ... | DOI | Description |
|---|---|---|
| References | 10.14469/hpc/14396 | TS3 |