R-glyceraldehyde 2
DOI: 10.14469/hpc/6388 Metadata
Created: 2019-12-02 13:49
Last modified: 2019-12-06 15:17
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian Calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| input.gjf | 1KB | chemical/x-gaussian-input | Gaussian input file |
| gaussian.log | 286KB | chemical/x-gaussian-log | Gaussian log file |
| checkpoint.fchk | 4MB | 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/6436 | The (+) in D-(+)-glyceraldehyde means it has a positive optical rotation? Wrong! |
Subject Keywords
| Keyword | Value |
|---|---|
| Gibbs_Energy | -343.690205 |
| inchi | InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m0/s1 |
| inchikey | MNQZXJOMYWMBOU-VKHMYHEASA-N |