FHF (-) NBO

DOI: 10.14469/hpc/3562 Metadata

Created: 2018-01-04 13:48

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 2KB chemical/x-gaussian-input Gaussian input file
gaussian.log 265KB chemical/x-gaussian-log Gaussian log file
checkpoint.fchk 473KB chemical/x-gaussian-checkpoint Formatted checkpoint file
cml.xml 486 application/xml Optimised geometry
wavefunction.wfn 0 chemical/x-gaussian-wavefunction 'Wavefunction'

Member of collection / collaboration

DOIDescription
10.14469/hpc/3381 Hyperbonds by Rydberg excitations

Subject Keywords

KeywordValue
inchi InChI=1S/FH.F/h1H;
inchi InChI=1S/F2H/c1-3-2
inchi InChI=1S/FH.F/h1H;
inchikey UKCBKQLNTLMFAA-UHFFFAOYSA-N
inchikey OSCYTRCYWNNKRF-UHFFFAOYSA-N
inchikey UKCBKQLNTLMFAA-UHFFFAOYSA-N

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