Dimethyl ketal hydrolysis using hydroxide anion + 4H2O, G = -728.829278
DOI: 10.14469/hpc/8062 Metadata
Created: 2021-04-02 07:49
Last modified: 2021-04-06 08:58
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian Calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| input.gjf | 2KB | chemical/x-gaussian-input | Gaussian input file |
| gaussian.log | 970KB | chemical/x-gaussian-log | Gaussian log file |
| checkpoint.fchk | 3MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| cml.xml | 4KB | application/xml | Optimised geometry |
| wavefunction.wfn | 0 | chemical/x-gaussian-wavefunction | 'Wavefunction' |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/8071 | Dimethyl ketal hydrolysis catalysed by hydroxide and hydronium ions |
Subject Keywords
| Keyword | Value |
|---|---|
| Gibbs_Energy | -728.829278 |
| inchi | InChI=1S/C4H9O.CH3O.4H2O.HO/c1-4(2)5-3;1-2;;;;;/h1-3H3;1H3;4*1H2;1H |
| inchikey | NUKXZAIFOHEQSS-UHFFFAOYSA-N |