NH4OH, 0 waters RP

DOI: 10.14469/hpc/337 Metadata

Created: 2016-03-20 09:22

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 3KB chemical/x-gaussian-input Gaussian input file
gaussian.log 1MB chemical/x-gaussian-log Gaussian log file
checkpoint.fchk 665KB chemical/x-gaussian-checkpoint Formatted checkpoint file
cml.xml 980 chemical/x-cml Optimised geometry
wavefunction.wfn 0 chemical/x-gaussian-wavefunction 'Wavefunction'

Member of collection / collaboration

DOIDescription
10.14469/hpc/333 blog

Subject Keywords

KeywordValue
inchi InChI=1S/H4N.HO/h1H4;1H
inchikey Usage: babel [-i<input-type>] <name> [-o<output-type>] <name>
inchikey NKLFTASGXYLHAJ-UHFFFAOYSA-N
inchikey Usage: babel [-i<input-type>] <name> [-o<output-type>] <name>
inchikey NKLFTASGXYLHAJ-UHFFFAOYSA-N

Edit