CCo(CO)3 (+) 2*G = -3,520.818216 = +11.3
DOI: 10.14469/hpc/7554 Metadata
Created: 2020-11-13 10:15
Last modified: 2020-11-13 11:01
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian Calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| input.gjf | 645 | chemical/x-gaussian-input | Gaussian input file |
| gaussian.log | 51KB | chemical/x-gaussian-log | Gaussian log file |
| checkpoint.fchk | 3MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| cml.xml | 1KB | application/xml | Optimised geometry |
| wavefunction.wfn | 0 | chemical/x-gaussian-wavefunction | 'Wavefunction' |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/333 | blog |
Subject Keywords
| Keyword | Value |
|---|---|
| Gibbs_Energy | -1760.409108 |
| inchi | InChI=1S/3CO.C.Co/c3*1-2;; |
| inchikey | FMJRSEVSOSRILG-UHFFFAOYSA-N |