Delphinidin, basic, 4' -1103.906465 0.0
DOI: 10.14469/hpc/4495 Metadata
Created: 2018-06-18 11:17
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 | 2KB | chemical/x-gaussian-input | Gaussian input file |
| gaussian.log | 236KB | chemical/x-gaussian-log | Gaussian log file |
| checkpoint.fchk | 8MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| cml.xml | 3KB | application/xml | Optimised geometry |
| wavefunction.wfn | 0 | chemical/x-gaussian-wavefunction | 'Wavefunction' |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/4473 | Why do flowers such as Red Roses, Peonies, Dahlias, Delphiniums, exhibit so many shades of colours? |
Subject Keywords
| Keyword | Value |
|---|---|
| inchi | InChI=1S/C15H10O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-5,16-20H |
| inchikey | GCPYCNBGGPHOBD-UHFFFAOYSA-N |