PHFAVB, Cyanidin

DOI: 10.14469/hpc/4470 Metadata

Created: 2018-06-15 19:34

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 1MB chemical/x-gaussian-log Gaussian log file
checkpoint.fchk 11MB 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/C15H11O6.Br.H2O/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7;;/h1-6,16-20H;;1H2
inchi InChI=1S/C15H13BrO7/c16-24-23-25-22-14-6-9-11(19)4-8(17)5-13(9)21-15(14)7-1-2-10(18)12(20)3-7/h1-6,17-20,23H
inchi InChI=1S/C15H11O6.Br.H2O/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7;;/h1-6,16-20H;;1H2
inchikey MZSQNTZMSNQCMT-UHFFFAOYSA-N
inchikey MFOBEGZPOBYHSH-UHFFFAOYSA-N
inchikey MZSQNTZMSNQCMT-UHFFFAOYSA-N

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