Delphinidin nstates=150, three OH TPSSH

DOI: 10.14469/hpc/4500 Metadata

Created: 2018-06-18 13:20

Last modified: 2019-02-05 16:48

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Gaussian Calculation

Files

FilenameSizeTypeDescription
input.gjf 2KB chemical/x-gaussian-input Gaussian input file
gaussian.log 178KB chemical/x-gaussian-log Gaussian log file
checkpoint.fchk 12MB 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

DOIDescription
10.14469/hpc/4473 Why do flowers such as Red Roses, Peonies, Dahlias, Delphiniums, exhibit so many shades of colours?

Subject Keywords

KeywordValue
inchi InChI=1S/C15H11O7.Br/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;/h1-5,16-21H;
inchikey CHDDAJWETVIWGH-UHFFFAOYSA-N

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