Cl6Al2. Reactant

DOI: 10.14469/hpc/7588 Metadata

Created: 2020-11-28 13:52

Last modified: 2020-11-28 14:00

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Gaussian Calculation

Files

FilenameSizeTypeDescription
input.gjf 1KB chemical/x-gaussian-input Gaussian input file
gaussian.log 3MB chemical/x-gaussian-log Gaussian log file
checkpoint.fchk 20MB chemical/x-gaussian-checkpoint Formatted checkpoint file
cml.xml 2KB application/xml Optimised geometry
wavefunction.wfn 0 chemical/x-gaussian-wavefunction 'Wavefunction'

Member of collection / collaboration

DOIDescription
10.14469/hpc/7584 Is cyanogen chloride (fluoride) a source of CN(+)?

Subject Keywords

KeywordValue
inchi InChI=1S/C6H6.CClN.2Al.6ClH/c1-2-4-6-5-3-1;2-1-3;;;;;;;;/h1-6H;;;;6*1H/q;;+2;+4;;;;;;/p-6
inchi InChI=1S/C6H6.CClN.2Al.6ClH/c1-2-4-6-5-3-1;2-1-3;;;;;;;;/h1-6H;;;;6*1H/q;;+2;+3;;;;;;/p-5
inchi InChI=1S/C6H6.CClN.2Al.6ClH/c1-2-4-6-5-3-1;2-1-3;;;;;;;;/h1-6H;;;;6*1H/q;;+2;+4;;;;;;/p-6
inchikey WQJYOHIBTGFCNU-UHFFFAOYSA-H
inchikey DDELBYVQFZEKNP-UHFFFAOYSA-I
inchikey WQJYOHIBTGFCNU-UHFFFAOYSA-H

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