NH4(-)

DOI: 10.14469/hpc/2861 Metadata

Created: 2017-08-08 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

FilenameSizeTypeDescription
input.gjf 3KB chemical/x-gaussian-input Gaussian input file
gaussian.log 463KB chemical/x-gaussian-log Gaussian log file
checkpoint.fchk 771KB chemical/x-gaussian-checkpoint Formatted checkpoint file
cml.xml 673 application/xml 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/FH2N.H/c1-2;/h2H2;
inchi InChI=1S/FH3N/c1-2/h2H3
inchi InChI=1S/FH2N.H/c1-2;/h2H2;
inchikey QDJXDTOGGVMITH-UHFFFAOYSA-N
inchikey PJOYMMBHUIVDDB-UHFFFAOYSA-N
inchikey QDJXDTOGGVMITH-UHFFFAOYSA-N

Edit