Luteolin
DOI: 10.14469/hpc/12180 Metadata
Created: 2023-01-02 07:29
Last modified: 2023-01-03 11:13
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 (C01) calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| luteolin.gjf | 1KB | chemical/x-gaussian-input | Gaussian input file |
| luteolin.log | 1MB | chemical/x-gaussian-log | Gaussian log file |
| luteolin.fchk | 41MB | chemical/x-gaussian-checkpoint | Formatted checkpoint file |
| opt.cml | 4KB | chemical/x-cml | Optimised geometry |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/12185 | A look at the dyes used in the Bayeaux tapestry. |
Subject Keywords
| Keyword | Value |
|---|---|
| Gibbs_Energy | -1028.877860 |
| inchi | InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H |
| inchikey | IQPNAANSBPBGFQ-UHFFFAOYSA-N |