Wilkinson catalyst, H2 on its own, G = -1.168378
DOI: 10.14469/hpc/13547 Metadata
Created: 2024-01-03 13:46
Last modified: 2024-01-03 14:00
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 (C01) calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| W-H2-only.gjf | 272 | chemical/x-gaussian-input | Gaussian input file |
| W-H2-only.log | 90KB | chemical/x-gaussian-log | Gaussian log file |
| checkpoint.fchk | 117KB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| opt.cml | 383 | chemical/x-cml | Optimised geometry |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/13538 | Wilkinson |
Subject Keywords
| Keyword | Value |
|---|---|
| Gibbs_Energy | -1.168378 |
| inchi | InChI=1S/H2/h1H |
| inchikey | UFHFLCQGNIYNRP-UHFFFAOYSA-N |