Wilkinson catalyst,PH3, G = -343.082750
DOI: 10.14469/hpc/13552 Metadata
Created: 2024-01-03 16:23
Last modified: 2024-01-04 08:04
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 (C01) calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| Wph3.gjf | 383 | chemical/x-gaussian-input | Gaussian input file |
| Wph3.log | 83KB | chemical/x-gaussian-log | Gaussian log file |
| checkpoint.fchk | 383KB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| opt.cml | 644 | chemical/x-cml | Optimised geometry |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/13538 | Wilkinson |
Subject Keywords
| Keyword | Value |
|---|---|
| Gibbs_Energy | -343.082750 |
| inchi | InChI=1S/H3P/h1H3 |
| inchikey | XYFCBTPGUUZFHI-UHFFFAOYSA-N |