Luteolin

DOI: 10.14469/hpc/12180 Metadata

Created: 2023-01-02 07:29

Last modified: 2023-01-03 11:13

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Gaussian 16 (C01) calculation

Files

FilenameSizeTypeDescription
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

DOIDescription
10.14469/hpc/12185 A look at the dyes used in the Bayeaux tapestry.

Subject Keywords

KeywordValue
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

Edit