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

Filename	Size	Type	Description
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

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/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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