S(OR)4
DOI: 10.14469/hpc/3764 Metadata
Created: 2018-03-05 07:25
Last modified: 2019-02-05 16:48
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian Calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| input.gjf | 6KB | chemical/x-gaussian-input | Gaussian input file |
| gaussian.log | 1MB | chemical/x-gaussian-log | Gaussian log file |
| checkpoint.fchk | 12MB | 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/3724 | Hypervalent or not? A fluxional triselenide. |
Subject Keywords
| Keyword | Value |
|---|---|
| inchi | InChI=1S/C2H4N2O4S/c3-1-5-9(6-1)7-2(4)8-9/h3-4H2 |
| inchikey | BYVSPYYPQWMIMA-UHFFFAOYSA-N |