DOI: 10.14469/hpc/4474 Metadata

Created: 2018-06-16 07:01

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	204KB	chemical/x-gaussian-log	Gaussian log file
checkpoint.fchk	13MB	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/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

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